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ASN 03367075 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

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摘 要:ASN 03367075 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-,(pyridin-3-ylmethyl)thiourea,Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4OC,InChI: InChI=1/C25H24N4O3S/c1-31-20-9-10-21-18(13-20)12-19
[Synonyms]
ASN 03367075
[Structure]
ASN 03367075 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxy

[ Properties Computed from Structure]
Molecular Weight460.54806 [g/mol]
Molecular FormulaC25H24N4O3S
XLogP2.4
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count4
Exact Mass460.156911
MonoIsotopic Mass460.156911
Topological Polar Surface Area75.7
Heavy Atom Count33
Formal Charge0
Complexity718
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-(2-methoxyphenyl)-1-
(pyridin-3-ylmethyl)thiourea
Canonical SMILES: COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4OC
InChI: InChI=1/C25H24N4O3S/c1-31-20-9-10-21-18(13-20)12-19(24(30)27-21)16-29
(15-17-6-5-11-26-14-17)25(33)28-22-7-3-4-8-23(22)32-2/h3-14H,15-16H2,
1-2H3,(H,27,30)(H,28,33)/f/h27-28H

 
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