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ASN 03367051 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxy

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摘 要:ASN 03367051 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-,(phenylmethyl)thiourea,Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O,InChI: InChI=1/C26H25N3O3S/c1-31-22-10-8-21(9-11-22)27-26(33)29(
[Synonyms]
ASN 03367051
[Structure]
ASN 03367051 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxy

[ Properties Computed from Structure]
Molecular Weight459.56 [g/mol]
Molecular FormulaC26H25N3O3S
XLogP3.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count4
Exact Mass459.161662
MonoIsotopic Mass459.161662
Topological Polar Surface Area62.8
Heavy Atom Count33
Formal Charge0
Complexity701
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: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-
(phenylmethyl)thiourea
Canonical SMILES: COC1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=CC(=C4)OC)NC3=O
InChI: InChI=1/C26H25N3O3S/c1-31-22-10-8-21(9-11-22)27-26(33)29(16-18-6-4-3-5-
7-18)17-20-14-19-15-23(32-2)12-13-24(19)28-25(20)30/h3-15H,16-17H2,
1-2H3,(H,27,33)(H,28,30)/f/h27-28H

 
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