N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2480 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(2,3-dimethylphenyl)-beta-alaninamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | Cc1cccc(c1C)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | 2.9507 |
| logSw: | -3.3186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.242 |
| InChI Key: | NLVCVIWKPQFFPJ-UHFFFAOYSA-N |