AC1LXC57
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
Also Known As: Oprea1_045923|AK-968/41925588|ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-4-(4-fluorophenyl)-3-thiophenecarboxylate|ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate|ETHYL 2-(5-CHLORO-2-NITROBENZAMIDO)-4-(4-FLUOROPHENYL)THIOPHENE-3-CARBOXYLATE|ethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4-(4-fluorophenyl)thiophene-3- carboxylate|ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4-(4-fluorophenyl)thiophene-3-carboxylate
| Molecular Formula | C20H14ClFN2O5S |
|---|---|
| Molecular Weight | 448.0296 g/mol |
| LogP | 5.5448 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0296 |
| Monoisotopic Mass | 448.0296 |
| Heavy Atoms | 30 |
| Complexity | 1130.7256 |
Chemical Identifiers
| CAS Number | 545441-03-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1LXC57 (CAS 545441-03-0), with molecular formula C20H14ClFN2O5S and molecular weight 448.0296 g/mol. IUPAC: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate.
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