N~3~-(4-bromobenzene-1-sulfonyl)-N-(propan-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-(propan-2-yl)-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-(propan-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | K786-0498 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-(propan-2-yl)-beta-alaninamide |
| Molecular Weight: | 349.24 |
| Molecular Formula: | C12 H17 Br N2 O3 S |
| Smiles: | CC(C)NC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2611 |
| logD: | 2.261 |
| logSw: | -2.7678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.555 |
| InChI Key: | VZROLWUSYIODGL-UHFFFAOYSA-N |