2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0961 |
| Compound Name: | 2-(3-methylthiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane |
| Molecular Weight: | 377.57 |
| Molecular Formula: | C20 H27 N O2 S2 |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCCCCC1c1c(C)ccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9566 |
| logD: | 5.9566 |
| logSw: | -5.4379 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | KVBMESVMNPPFEA-SFHVURJKSA-N |