AC1MED9W
methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_559042|AK-968/37005222|methyl 2-({3-nitro-2-methylbenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 6-methyl-2-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 6-methyl-2-(2-methyl-3-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 6-methyl-2-[(2-methyl-3-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.10928 g/mol |
| LogP | 4.12842 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10928 |
| Monoisotopic Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 934.4215 |
Chemical Identifiers
| CAS Number | 354541-95-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C |
Product Overview
AC1MED9W (CAS 354541-95-0), with molecular formula C19H20N2O5S and molecular weight 388.10928 g/mol. IUPAC: methyl 6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.