4-[2-(3-methylphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Chemical Structure Depiction of
4-[2-(3-methylphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
4-[2-(3-methylphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole
Compound characteristics
| Compound ID: | J005-0411 |
| Compound Name: | 4-[2-(3-methylphenyl)azepane-1-sulfonyl]-2,1,3-benzothiadiazole |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C19 H21 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C1CCCCCN1S(c1cccc2c1nsn2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8667 |
| logD: | 4.8667 |
| logSw: | -4.5854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.432 |
| InChI Key: | KYLIIQWKRDHHGL-KRWDZBQOSA-N |