N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K784-4328 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-chlorophenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 431.73 |
| Molecular Formula: | C16 H16 Br Cl N2 O3 S |
| Smiles: | C(CNS(c1ccc(cc1)[Br])(=O)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6478 |
| logD: | 3.6478 |
| logSw: | -3.8929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.31 |
| InChI Key: | LNASIENRJZIUEO-UHFFFAOYSA-N |