N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0061 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(4-methylphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 427.32 |
| Molecular Formula: | C16 H19 Br N4 O3 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2cc(cnc2N)[Br])(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8983 |
| logD: | 1.8979 |
| logSw: | -2.7905 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 96.144 |
| InChI Key: | JXAZCYJGWKUYBO-UHFFFAOYSA-N |