N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0104 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 445.35 |
| Molecular Formula: | C15 H17 Br N4 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2356 |
| logD: | 2.235 |
| logSw: | -3.0169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.822 |
| InChI Key: | INNNYCXRELDUJX-UHFFFAOYSA-N |