AC1LWRXQ
2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: AK-968/40642690|2-ethyl 4-propyl 5-({2-chloro-4-nitrobenzoyl}amino)-3-methyl-2,4-thiophenedicarboxylate|2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate|2-ETHYL 4-PROPYL 5-(2-CHLORO-4-NITROBENZAMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE|2-ethyl 4-propyl 5-{[(2-chloro-4-nitrophenyl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate|ethyl 5-[(2-chloro-4-nitrophenyl)carbonylamino]-3-methyl-4-(propoxycarbonyl)th iophene-2-carboxylate
| Molecular Formula | C19H19ClN2O7S |
|---|---|
| Molecular Weight | 454.06015 g/mol |
| LogP | 4.61392 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.06015 |
| Monoisotopic Mass | 454.06015 |
| Heavy Atoms | 30 |
| Complexity | 1003.0094 |
Chemical Identifiers
| CAS Number | 445002-07-3 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
AC1LWRXQ (CAS 445002-07-3), with molecular formula C19H19ClN2O7S and molecular weight 454.06015 g/mol. IUPAC: 2-O-ethyl 4-O-propyl 5-[(2-chloro-4-nitrobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate.