AC1MG41Z

methyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate

Also Known As: methyl [1-({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)-3-oxo-2-piperazinyl]acetate|SR-01000298912-1|methyl 2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate|2-[1-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester|methyl (1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate|methyl 2-(1-((3-chlorobenzo[b]thiophene-2-carbonyl)carbamothioyl)-3-oxopiperazin-2-yl)acetate

Molecular Formula	C17H16ClN3O4S2
Molecular Weight	425.02707 g/mol
LogP	1.9329
Topological Polar Surface Area	87.74 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	425.02707
Monoisotopic Mass	425.02707
Heavy Atoms	27
Complexity	930.0393

Chemical Identifiers

CAS Number	1007999-84-9
SMILES	COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl