AC1M3KPJ

methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: F1142-1070|methyl 2-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-(2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-({[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[2-(1-phenyl-1,2,3,4-tetraazol-5-ylthio)acetylamino]-4,5,6,7-tetrahyd robenzo[b]thiophene-3-carboxylate

Molecular Formula	C19H19N5O3S2
Molecular Weight	429.09293 g/mol
LogP	3.12
Topological Polar Surface Area	99.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	429.09293
Monoisotopic Mass	429.09293
Heavy Atoms	29
Complexity	1031.9016

Chemical Identifiers

CAS Number	501348-59-0
SMILES	COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=NN3C4=CC=CC=C4