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ASN 03367163 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylp

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摘 要:ASN 03367163 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)-1-(2-,morpholin-4-ylethyl)thiourea,Canonical SMILES: CC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=C(C=CC(=C4)OC)NC3=O,InChI: InChI=1/C25H30N4O3S/c1-18-3-5-21(6-4-18)26-25(33)29(
[Synonyms]
ASN 03367163
[Structure]
ASN 03367163 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methylp

[ Properties Computed from Structure]
Molecular Weight466.5957 [g/mol]
Molecular FormulaC25H30N4O3S
XLogP2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count4
Exact Mass466.203862
MonoIsotopic Mass466.203862
Topological Polar Surface Area66.1
Heavy Atom Count33
Formal Charge0
Complexity704
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-methylphenyl)-1-(2-
morpholin-4-ylethyl)thiourea
Canonical SMILES: CC1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC4=C(C=CC(=C4)OC)NC3=O
InChI: InChI=1/C25H30N4O3S/c1-18-3-5-21(6-4-18)26-25(33)29(10-9-28-11-13-32-14-
12-28)17-20-15-19-16-22(31-2)7-8-23(19)27-24(20)30/h3-8,15-16H,9-14,
17H2,1-2H3,(H,26,33)(H,27,30)/f/h26-27H

 
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