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CBMicro_029684,,, :Molecular Weight391.38691 [g/mol]Molecular Formul

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摘 要:CBMicro_029684,,, :Molecular Weight391.38691 [g/mol]Molecular FormulaC20H20F3N3O2XLogP4.3H-Bond Donor1H-Bond Acceptor7Rotatable Bond Count5Tautomer Count2Exact Mass391.150762MonoIsotopic Mass391.150762Topological Polar Surface Area53.9Heavy Atom Co
[Synonyms]
CBMicro_029684


Properties Computed from Structure:Molecular Weight391.38691 [g/mol]Molecular FormulaC20H20F3N3O2XLogP4.3H-Bond Donor1H-Bond Acceptor7Rotatable Bond Count5Tautomer Count2Exact Mass391.150762MonoIsotopic Mass391.150762Topological Polar Surface Area53.9Heavy Atom Count28Formal Charge0Complexity527Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count1Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 4-(morpholin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]
benzamide
Canonical SMILES: C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3C(F)(F)F
InChI: InChI=1/C20H20F3N3O2/c21-20(22,
23)18-4-2-1-3-17(18)13-24-25-19(27)16-7-5-15(6-8-16)14-26-9-11-28-12-10-
26/h1-8,13H,9-12,14H2,(H,25,27)/f/h25H


Compound Info:CID: 2865514  Create Date: 2005-07-29
Related Compounds:
Same, Connectivity: 3 Links

Similar Compounds: 32 Links


Substance Info:Substances: 3 Links

Category: [for same structure substances]Biological Properties: 1 Link
   ChemBank ( 1 )
SID: 11176378 - External ID: CBMicro_029684

Substance Vendors: 1 Link
   ChemSpider ( 1 )
SID: 40832165 - External ID: 2140778

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 7308192 - External ID: 7513325

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2865514Molecular Weight391.38691 [g/mol]Molecular FormulaC20H20F3N3O2XLogP4.3H-Bond Donor1H-Bond Acceptor7  Links
Chemical Structure Search

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[Structure]
CBMicro_029684,,,   :Molecular Weight391.38691 [g/mol]Molecular Formul

[ Properties Computed from Structure]
Molecular Weight391.38691 [g/mol]
Molecular FormulaC20H20F3N3O2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count5
Tautomer Count2
Exact Mass391.150762
MonoIsotopic Mass391.150762
Topological Polar Surface Area53.9
Heavy Atom Count28
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(morpholin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]
benzamide
Canonical SMILES: C1COCCN1CC2=CC=C(C=C2)C(=O)NN=CC3=CC=CC=C3C(F)(F)F
InChI: InChI=1/C20H20F3N3O2/c21-20(22,
23)18-4-2-1-3-17(18)13-24-25-19(27)16-7-5-15(6-8-16)14-26-9-11-28-12-10-
26/h1-8,13H,9-12,14H2,(H,25,27)/f/h25H

 
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