3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | C105-0838 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C16 H15 N3 O3 S3 |
| Smiles: | CSc1cccc(c1)NC(CCS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9222 |
| logD: | 2.9222 |
| logSw: | -3.5447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.105 |
| InChI Key: | ZRHNEMSQHZFMNF-UHFFFAOYSA-N |