N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4165 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C17 H19 Br N2 O3 S |
| Smiles: | C(CNS(c1ccc(cc1)[Br])(=O)=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8278 |
| logD: | 2.8278 |
| logSw: | -3.4552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.151 |
| InChI Key: | RVQRNLMMWNSHRR-UHFFFAOYSA-N |