N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2563 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C16 H16 N4 O3 S3 |
| Smiles: | CSc1cccc(c1)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7865 |
| logD: | 2.7811 |
| logSw: | -3.5346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.94 |
| InChI Key: | ZQSZHZWLSVLROF-UHFFFAOYSA-N |