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ZINC00930645,ASN 04445530,N-[3-(2-Chloro-benzyl)-4-oxo-2-propyl-3,4-di

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摘 要:ZINC00930645,ASN 04445530,N-[3-(2-Chloro-benzyl)-4-oxo-2-propyl-3,4-dihydro-quinazolin-6-yl]-propionamide, N-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]propanamide,Canonical SMILES: CCCC1=NC2=C(C=C(C=C2)NC(=O)CC)C(=O)N1CC3=CC=CC=C3Cl,I
[Synonyms]
ZINC00930645
ASN 04445530
N-[3-(2-Chloro-benzyl)-4-oxo-2-propyl-3,4-dihydro-quinazolin-6-yl]-propionamide

[Structure]
ZINC00930645,ASN 04445530,N-[3-(2-Chloro-benzyl)-4-oxo-2-propyl-3,4-di

[ Properties Computed from Structure]
Molecular Weight383.87128 [g/mol]
Molecular FormulaC21H22ClN3O2
XLogP3.7
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count2
Exact Mass383.140055
MonoIsotopic Mass383.140055
Topological Polar Surface Area61.8
Heavy Atom Count27
Formal Charge0
Complexity580
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-[3-[(2-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]propanamide
Canonical SMILES: CCCC1=NC2=C(C=C(C=C2)NC(=O)CC)C(=O)N1CC3=CC=CC=C3Cl
InChI: InChI=1/C21H22ClN3O2/c1-3-7-19-24-18-11-10-15(23-20(26)4-2)12-16(18)21
(27)25(19)13-14-8-5-6-9-17(14)22/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,23,
26)/f/h23H

 
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