N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0003 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 470.36 |
| Molecular Formula: | C16 H16 Br N5 O3 S2 |
| Smiles: | Cc1cccc2c1nc(NC(CCNS(c1cc(cnc1N)[Br])(=O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8887 |
| logD: | 2.888 |
| logSw: | -3.3096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.354 |
| InChI Key: | OSKZOMOWRUJRHA-UHFFFAOYSA-N |