N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0082 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C16 H19 Br N4 O5 S |
| Smiles: | COc1ccc(c(c1)NC(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.4581 |
| logD: | 1.4545 |
| logSw: | -2.4918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.298 |
| InChI Key: | MVJFRHZBYSSNGP-UHFFFAOYSA-N |