N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E199-0068 |
| Compound Name: | N~3~-(2-amino-5-bromopyridine-3-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 457.3 |
| Molecular Formula: | C16 H17 Br N4 O5 S |
| Smiles: | C(CNS(c1cc(cnc1N)[Br])(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3881 |
| logD: | 1.3876 |
| logSw: | -2.5007 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.259 |
| InChI Key: | BSRWWUGRCSOGGK-UHFFFAOYSA-N |