N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(3,4-dimethylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(3,4-dimethylphenyl)-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(3,4-dimethylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0087 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(3,4-dimethylphenyl)-beta-alaninamide |
| Molecular Weight: | 427.32 |
| Molecular Formula: | C16 H19 Br N4 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7621 |
| logD: | 2.7615 |
| logSw: | -3.2798 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 94.822 |
| InChI Key: | NWAQKNQCEKQOCB-UHFFFAOYSA-N |