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ASN 03368058 1-(2-dimethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-

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摘 要:ASN 03368058 1-(2-dimethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-,(4-methoxyphenyl)thiourea,Canonical SMILES: CN(C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC=C(C=C3)OC,InChI: InChI=1/C23H28N4O3S/c1-26(2)11-12-27(23(31)24-18-6-9-1
[Synonyms]
ASN 03368058
[Structure]
ASN 03368058 1-(2-dimethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-

[ Properties Computed from Structure]
Molecular Weight440.55842 [g/mol]
Molecular FormulaC23H28N4O3S
XLogP1.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count8
Tautomer Count4
Exact Mass440.188211
MonoIsotopic Mass440.188211
Topological Polar Surface Area66.1
Heavy Atom Count31
Formal Charge0
Complexity649
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-(2-dimethylaminoethyl)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-
(4-methoxyphenyl)thiourea
Canonical SMILES: CN(C)CCN(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C(=S)NC3=CC=C(C=C3)OC
InChI: InChI=1/C23H28N4O3S/c1-26(2)11-12-27(23(31)24-18-6-9-19(29-3)10-7-18)15-
17-13-16-5-8-20(30-4)14-21(16)25-22(17)28/h5-10,13-14H,11-12,15H2,1-4H3,
(H,24,31)(H,25,28)/f/h24-25H

 
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