2-(thiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(thiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
2-(thiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0960 |
| Compound Name: | 2-(thiophen-2-yl)-1-(2,4,5-trimethylbenzene-1-sulfonyl)azepane |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C19 H25 N O2 S2 |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCCCCC1c1cccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3873 |
| logD: | 5.3873 |
| logSw: | -5.3108 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | XLVMVLCUTSHKMU-KRWDZBQOSA-N |