AC1MG85T
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_330930|AK-968/13027759|propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methylethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-6-methyl-4,5,6,7-tetrahy drobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H21ClN2O5S |
|---|---|
| Molecular Weight | 436.08597 g/mol |
| LogP | 5.252 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.08597 |
| Monoisotopic Mass | 436.08597 |
| Heavy Atoms | 29 |
| Complexity | 985.49146 |
Chemical Identifiers
| CAS Number | 543716-22-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1MG85T (CAS 543716-22-9), with molecular formula C20H21ClN2O5S and molecular weight 436.08597 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.