4-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
4-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | J005-0416 |
| Compound Name: | 4-[2-(3-methylthiophen-2-yl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 393.55 |
| Molecular Formula: | C17 H19 N3 O2 S3 |
| Smiles: | Cc1ccsc1C1CCCCCN1S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5435 |
| logD: | 4.5435 |
| logSw: | -4.2365 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.451 |
| InChI Key: | OCLBAXGMXCNVFQ-AWEZNQCLSA-N |