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Oprea1_709920,ZINC00881426,ASN 03433175,N-[2,5-Diethoxy-4-(2-methyl-be

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摘 要:Oprea1_709920,ZINC00881426,ASN 03433175,N-[2,5-Diethoxy-4-(2-methyl-benzoylamino)-phenyl]-nicotinamide, N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CN=CC=C2)OCC)NC(=O)C3=CC=CC=C3C
[Synonyms]
Oprea1_709920
ZINC00881426
ASN 03433175
N-[2,5-Diethoxy-4-(2-methyl-benzoylamino)-phenyl]-nicotinamide

[Structure]
Oprea1_709920,ZINC00881426,ASN 03433175,N-[2,5-Diethoxy-4-(2-methyl-be

[ Properties Computed from Structure]
Molecular Weight419.473 [g/mol]
Molecular FormulaC24H25N3O4
XLogP3.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count8
Tautomer Count4
Exact Mass419.184506
MonoIsotopic Mass419.184506
Topological Polar Surface Area89.6
Heavy Atom Count31
Formal Charge0
Complexity587
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-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]pyridine-3-carboxamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CN=CC=C2)OCC)NC(=O)C3=CC=CC=C3C
InChI: InChI=1/C24H25N3O4/c1-4-30-21-14-20(27-24(29)18-11-7-6-9-16(18)3)22(31-
5-2)13-19(21)26-23(28)17-10-8-12-25-15-17/h6-15H,4-5H2,1-3H3,(H,26,
28)(H,27,29)/f/h26-27H

 
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