N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2488 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-ethylphenyl)-beta-alaninamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | CCc1ccc(cc1)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2563 |
| logD: | 3.2509 |
| logSw: | -3.5118 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.94 |
| InChI Key: | HVXSRGNYZIPUBU-UHFFFAOYSA-N |