N-(2-benzoyl-4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-benzoyl-4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
N-(2-benzoyl-4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 3331-4691 |
| Compound Name: | N-(2-benzoyl-4-chlorophenyl)-5-nitro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C22 H13 Cl N2 O4 S |
| Smiles: | c1ccc(cc1)C(c1cc(ccc1NC(c1cc2cc(ccc2s1)[N+]([O-])=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0805 |
| logD: | 6.0478 |
| logSw: | -6.2903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.227 |
| InChI Key: | BRKMDGROTVSFFJ-UHFFFAOYSA-N |