N-(2-benzoyl-4-bromophenyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2-benzoyl-4-bromophenyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-(2-benzoyl-4-bromophenyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | 5267-1046 |
| Compound Name: | N-(2-benzoyl-4-bromophenyl)-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C23 H21 Br N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(Nc1ccc(cc1C(c1ccccc1)=O)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7436 |
| logD: | 4.7101 |
| logSw: | -4.4416 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.757 |
| InChI Key: | NPGLAUQRZIHEKC-UHFFFAOYSA-N |