AC1MPY46

ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: AK-968/41017502|ethyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-(4-bromo-1-ethyl-1H-pyrazole-3-carbonyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Molecular Formula	C19H23BrN4O3S2
Molecular Weight	498.0395 g/mol
LogP	4.1553
Topological Polar Surface Area	85.25 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	498.0395
Monoisotopic Mass	498.0395
Heavy Atoms	29
Complexity	953.6463

Chemical Identifiers

CAS Number	492425-72-6
SMILES	CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC)Br