N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K781-4185 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 411.32 |
| Molecular Formula: | C17 H19 Br N2 O3 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2ccc(cc2)[Br])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4765 |
| logD: | 3.4764 |
| logSw: | -3.7389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.31 |
| InChI Key: | YBMXJRKONWGCTG-UHFFFAOYSA-N |