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ASN 03367016 1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-[(7-met

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摘 要:ASN 03367016 1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-,quinolin-3-yl)methyl]thiourea,Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CO4,InChI: InChI=1/C24H22FN3O3S/c1-30-20-9-6-17-11-18(23(
[Synonyms]
ASN 03367016
[Structure]
ASN 03367016 1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-[(7-met

[ Properties Computed from Structure]
Molecular Weight451.513183 [g/mol]
Molecular FormulaC24H22FN3O3S
XLogP2.8
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count7
Tautomer Count4
Exact Mass451.13659
MonoIsotopic Mass451.13659
Topological Polar Surface Area66.7
Heavy Atom Count32
Formal Charge0
Complexity698
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-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-[(7-methoxy-2-oxo-1H-
quinolin-3-yl)methyl]thiourea
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=C(C=C3)F)C(=S)NCC4=CC=CO4
InChI: InChI=1/C24H22FN3O3S/c1-30-20-9-6-17-11-18(23(29)27-22(17)12-20)15-28
(14-16-4-7-19(25)8-5-16)24(32)26-13-21-3-2-10-31-21/h2-12H,13-15H2,1H3,
(H,26,32)(H,27,29)/f/h26-27H

 
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