1-(3,4-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)azepane
Chemical Structure Depiction of
1-(3,4-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)azepane
1-(3,4-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)azepane
Compound characteristics
| Compound ID: | J005-0636 |
| Compound Name: | 1-(3,4-dimethylbenzene-1-sulfonyl)-2-(4-methoxyphenyl)azepane |
| Molecular Weight: | 373.51 |
| Molecular Formula: | C21 H27 N O3 S |
| Smiles: | Cc1ccc(cc1C)S(N1CCCCCC1c1ccc(cc1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3833 |
| logD: | 5.3833 |
| logSw: | -5.3328 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.023 |
| InChI Key: | PMDIQMZTPGEVRC-NRFANRHFSA-N |