N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0124 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(thiophen-2-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 419.32 |
| Molecular Formula: | C13 H15 Br N4 O3 S2 |
| Smiles: | C(CNS(c1cc(cnc1N)[Br])(=O)=O)C(NCc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.45 |
| logD: | 1.4495 |
| logSw: | -2.4646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.162 |
| InChI Key: | SHUBTCAHXRCBID-UHFFFAOYSA-N |