N~3~-(4-bromobenzene-1-sulfonyl)-N-[3-(pyrrolidin-1-yl)propyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-bromobenzene-1-sulfonyl)-N-[3-(pyrrolidin-1-yl)propyl]-beta-alaninamide
N~3~-(4-bromobenzene-1-sulfonyl)-N-[3-(pyrrolidin-1-yl)propyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K786-0490 |
| Compound Name: | N~3~-(4-bromobenzene-1-sulfonyl)-N-[3-(pyrrolidin-1-yl)propyl]-beta-alaninamide |
| Molecular Weight: | 418.35 |
| Molecular Formula: | C16 H24 Br N3 O3 S |
| Smiles: | C1CCN(C1)CCCNC(CCNS(c1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8325 |
| logD: | -1.2581 |
| logSw: | -2.5732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.5 |
| InChI Key: | KAURPFGYYPKJLW-UHFFFAOYSA-N |