AC1MGPLY

methyl 4-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate

Also Known As: CBKinase1_009550|CBKinase1_021950|VU0507936-1|F3048-0084|SR-01000285826-1|methyl 4-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate|methyl 4-(3-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-2,5-dioxopyrrolidin-1-yl)benzoate|methyl 4-(3-{[N-(3,4-dimethylphenyl)carbamoyl]methylthio}-2,5-dioxoazolidinyl) benzoate|methyl p-{3-[(N-3,4-xylylcarbamoyl)methylthio]-2,5-dioxo-1-pyrrolidinyl}benzoate|Methyl 4-[3-[(3,4-dimethylphenyl)carbamoylmethylsulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate

Molecular Formula	C22H22N2O5S
Molecular Weight	426.12494 g/mol
LogP	3.09384
Topological Polar Surface Area	92.78 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	426.12494
Monoisotopic Mass	426.12494
Heavy Atoms	30
Complexity	1003.0875

Chemical Identifiers

CAS Number	714262-68-7
SMILES	CC1=C(C=C(C=C1)NC(=O)CSC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)C