AC1LXCDU

propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: BAS 00924216|AK-968/37129021|SR-01000551050-1|2-[2-(3-Nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester|isopropyl 2-(2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|propan-2-yl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|isopropyl 2-[({3-nitro-1H-1,2,4-triazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ISOPROPYL 2-{[2-(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ACETYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methylethyl 2-[2-(3-nitro-1,2,4-triazolyl)acetylamino]-4,5,6,7-tetrahydrobenzo [b]thiophene-3-carboxylate|propan-2-yl 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C16H19N5O5S
Molecular Weight	393.1107 g/mol
LogP	2.3305
Topological Polar Surface Area	129.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	393.1107
Monoisotopic Mass	393.1107
Heavy Atoms	27
Complexity	887.8932

Chemical Identifiers

CAS Number	313248-72-5
SMILES	CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-]