C21H20ClN3O5S structure

C21H20ClN3O5S

methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

Also Known As: Oprea1_779985|methyl [5-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate|methyl 2-(5-(2-((4-chlorophenyl)amino)-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-2-thioxoimidazolidin-1-yl)acetate|METHYL 2-(5-{[(4-CHLOROPHENYL)CARBAMOYL]METHYL}-3-(4-METHOXYPHENYL)-4-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-1-YL)ACETATE|methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

CAS: 1024014-15-0
Molecular Formula C21H20ClN3O5S
Molecular Weight 461.0812 g/mol
LogP 2.8525
Topological Polar Surface Area 88.18 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 461.0812
Monoisotopic Mass 461.0812
Heavy Atoms 31
Complexity 997.0797

Chemical Identifiers

CAS Number 1024014-15-0
SMILES COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC(=O)OC)CC(=O)NC3=CC=C(C=C3)Cl

Product Overview

C21H20ClN3O5S (CAS 1024014-15-0), with molecular formula C21H20ClN3O5S and molecular weight 461.0812 g/mol. IUPAC: methyl 2-[5-[2-(4-chloroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate.

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