N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2577 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6638 |
| logD: | 3.6584 |
| logSw: | -3.856 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.94 |
| InChI Key: | RRFXYIUIISLJLJ-UHFFFAOYSA-N |