ChemDiv1_003482
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ChemDiv1_003482|Oprea1_286778|HMS596O06|A2446/0103699|SR-01000431181-1|ETHYL 2-(4-CHLORO-3-NITROBENZAMIDO)-5-[(2-FLUOROPHENYL)CARBAMOYL]-4-METHYLTHIOPHENE-3-CARBOXYLATE|ethyl 2-(4-chloro-3-nitrobenzamido)-5-((2-fluorophenyl)carbamoyl)-4-methylthiophene-3-carboxylate|ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate|ethyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H17ClFN3O6S |
|---|---|
| Molecular Weight | 505.05106 g/mol |
| LogP | 5.43852 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.05106 |
| Monoisotopic Mass | 505.05106 |
| Heavy Atoms | 34 |
| Complexity | 1309.7872 |
Chemical Identifiers
| CAS Number | 312595-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2F)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
ChemDiv1_003482 (CAS 312595-87-2), with molecular formula C22H17ClFN3O6S and molecular weight 505.05106 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-5-[(2-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
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