1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(4-methylphenyl)azepane
Chemical Structure Depiction of
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(4-methylphenyl)azepane
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(4-methylphenyl)azepane
Compound characteristics
| Compound ID: | J005-0539 |
| Compound Name: | 1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(4-methylphenyl)azepane |
| Molecular Weight: | 389.51 |
| Molecular Formula: | C21 H27 N O4 S |
| Smiles: | Cc1ccc(cc1)C1CCCCCN1S(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4056 |
| logD: | 4.4056 |
| logSw: | -4.2777 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.741 |
| InChI Key: | YEBNQVKDKRQZLC-IBGZPJMESA-N |