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ZINC01354184,ASN 10014994,1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2

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摘 要:ZINC01354184,ASN 10014994,1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea, 3-(2-ethylphenyl)-1-[1-[(3-methoxyphenyl)methyl]-2-oxopyridin-3-yl]urea,Canonical SMILES: CCC1=CC=CC=C1NC(=O)NC2=CC=CN(C2=O)CC3=CC(=CC=C3)OC,In
[Synonyms]
ZINC01354184
ASN 10014994
1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea

[Structure]
ZINC01354184,ASN 10014994,1-(2-Ethyl-phenyl)-3-[1-(3-methoxy-benzyl)-2

[ Properties Computed from Structure]
Molecular Weight377.43632 [g/mol]
Molecular FormulaC22H23N3O3
XLogP3.6
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count6
Tautomer Count3
Exact Mass377.173942
MonoIsotopic Mass377.173942
Topological Polar Surface Area70.7
Heavy Atom Count28
Formal Charge0
Complexity616
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: 3-(2-ethylphenyl)-1-[1-[(3-methoxyphenyl)methyl]-2-oxopyridin-3-yl]urea
Canonical SMILES: CCC1=CC=CC=C1NC(=O)NC2=CC=CN(C2=O)CC3=CC(=CC=C3)OC
InChI: InChI=1/C22H23N3O3/c1-3-17-9-4-5-11-19(17)23-22(27)24-20-12-7-13-25(21
(20)26)15-16-8-6-10-18(14-16)28-2/h4-14H,3,15H2,1-2H3,(H2,23,24,
27)/f/h23-24H

 
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