2-(3-methylphenyl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(3-methylphenyl)-1-(3-nitrobenzene-1-sulfonyl)azepane
2-(3-methylphenyl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0429 |
| Compound Name: | 2-(3-methylphenyl)-1-(3-nitrobenzene-1-sulfonyl)azepane |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C19 H22 N2 O4 S |
| Smiles: | Cc1cccc(c1)C1CCCCCN1S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7759 |
| logD: | 4.7759 |
| logSw: | -4.5418 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.861 |
| InChI Key: | ZUIVFHHRIYFSME-IBGZPJMESA-N |