AC1LWSHS
methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate
Also Known As: Oprea1_645593|AK-968/40708164|methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate|methyl 5-(aminocarbonyl)-2-({3,5-bisnitro-4-methylbenzoyl}amino)-4-methylthiophene-3-carboxylate|METHYL 5-CARBAMOYL-4-METHYL-2-(4-METHYL-3,5-DINITROBENZAMIDO)THIOPHENE-3-CARBOXYLATE|methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitrophenyl)carbonylamino]thiop hene-3-carboxylate|methyl 5-carbamoyl-4-methyl-2-{[(4-methyl-3,5-dinitrophenyl)carbonyl]amino}thiophene-3-carboxylate
| Molecular Formula | C16H14N4O8S |
|---|---|
| Molecular Weight | 422.05322 g/mol |
| LogP | 2.31914 |
| Topological Polar Surface Area | 184.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.05322 |
| Monoisotopic Mass | 422.05322 |
| Heavy Atoms | 29 |
| Complexity | 1040.1074 |
Chemical Identifiers
| CAS Number | 445005-51-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC)[N+](=O)[O-] |
Product Overview
AC1LWSHS (CAS 445005-51-6), with molecular formula C16H14N4O8S and molecular weight 422.05322 g/mol. IUPAC: methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate.