N~3~-(5-bromothiophene-2-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3267 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide |
| Molecular Weight: | 431.37 |
| Molecular Formula: | C16 H19 Br N2 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CCNS(c1ccc(s1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3309 |
| logD: | 4.3306 |
| logSw: | -4.1981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.006 |
| InChI Key: | LKSSWJUIFXMMLR-UHFFFAOYSA-N |