1-(4-tert-butylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-(4-tert-butylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
1-(4-tert-butylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0943 |
| Compound Name: | 1-(4-tert-butylbenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 391.59 |
| Molecular Formula: | C21 H29 N O2 S2 |
| Smiles: | Cc1ccsc1C1CCCCCN1S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3868 |
| logD: | 6.3868 |
| logSw: | -5.568 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.498 |
| InChI Key: | BLDLYIMIGVHHQW-IBGZPJMESA-N |