N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0032 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(4-chlorophenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 461.76 |
| Molecular Formula: | C16 H18 Br Cl N4 O3 S |
| Smiles: | C(CNS(c1cc(cnc1N)[Br])(=O)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8444 |
| logD: | 1.8439 |
| logSw: | -2.9025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.985 |
| InChI Key: | KRVMLTVJDLXTBA-UHFFFAOYSA-N |