1-[4-(2-methylpropyl)benzene-1-sulfonyl]-2-(5-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-[4-(2-methylpropyl)benzene-1-sulfonyl]-2-(5-methylthiophen-2-yl)azepane
1-[4-(2-methylpropyl)benzene-1-sulfonyl]-2-(5-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0711 |
| Compound Name: | 1-[4-(2-methylpropyl)benzene-1-sulfonyl]-2-(5-methylthiophen-2-yl)azepane |
| Molecular Weight: | 391.59 |
| Molecular Formula: | C21 H29 N O2 S2 |
| Smiles: | CC(C)Cc1ccc(cc1)S(N1CCCCCC1c1ccc(C)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.412 |
| logD: | 6.412 |
| logSw: | -5.6262 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | OUNWNFXYROHIDM-FQEVSTJZSA-N |