4-[2-(4-methoxyphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[2-(4-methoxyphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
4-[2-(4-methoxyphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | J005-0414 |
| Compound Name: | 4-[2-(4-methoxyphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C19 H21 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C1CCCCCN1S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3095 |
| logD: | 4.3095 |
| logSw: | -4.2454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.976 |
| InChI Key: | ZSJUCCUWMGSJAB-KRWDZBQOSA-N |