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Oprea1_064490,Oprea1_613147,ZINC00411453,ASN 01370826,N-(2-Ethyl-pheny

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摘 要:Oprea1_064490,Oprea1_613147,ZINC00411453,ASN 01370826,N-(2-Ethyl-phenyl)-2-(5-phenyl-tetrazol-2-yl)-acetamide, N-(2-ethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide,Canonical SMILES: CCC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=CC=C3,InChI: InChI=1/C17H17N5O/
[Synonyms]
Oprea1_064490
Oprea1_613147
ZINC00411453
ASN 01370826
N-(2-Ethyl-phenyl)-2-(5-phenyl-tetrazol-2-yl)-acetamide

[Structure]
Oprea1_064490,Oprea1_613147,ZINC00411453,ASN 01370826,N-(2-Ethyl-pheny

[ Properties Computed from Structure]
Molecular Weight307.34978 [g/mol]
Molecular FormulaC17H17N5O
XLogP3.6
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Tautomer Count2
Exact Mass307.14331
MonoIsotopic Mass307.14331
Topological Polar Surface Area72.7
Heavy Atom Count23
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(2-ethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
Canonical SMILES: CCC1=CC=CC=C1NC(=O)CN2N=C(N=N2)C3=CC=CC=C3
InChI: InChI=1/C17H17N5O/c1-2-13-8-6-7-11-15(13)18-16(23)12-22-20-17(19-21-22)
14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H,18,23)/f/h18H

 
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