AC1MDGIX
methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_747143|AK-968/12385744|SR-01000429691-1|methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-({2-chloro-4-nitrobenzoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|METHYL 2-(2-CHLORO-4-NITROBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|methyl 2-(2-chloro-4-nitrobenzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05466 g/mol |
| LogP | 4.4734 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.05466 |
| Monoisotopic Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 940.0735 |
Chemical Identifiers
| CAS Number | 302576-71-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
AC1MDGIX (CAS 302576-71-2), with molecular formula C18H17ClN2O5S and molecular weight 408.05466 g/mol. IUPAC: methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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