1-(2,5-dimethylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-(2,5-dimethylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
1-(2,5-dimethylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0487 |
| Compound Name: | 1-(2,5-dimethylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 363.54 |
| Molecular Formula: | C19 H25 N O2 S2 |
| Smiles: | Cc1ccc(C)c(c1)S(N1CCCCCC1c1c(C)ccs1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3843 |
| logD: | 5.3843 |
| logSw: | -5.2272 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | PECJQZGGODLJQU-KRWDZBQOSA-N |