N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | K906-3581 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C18 H23 Br N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCNS(c2cc(cnc2N)[Br])(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.7667 |
| logD: | 0.7663 |
| logSw: | -2.4091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 111.246 |
| InChI Key: | BKOQMXQCTMMWCZ-UHFFFAOYSA-N |