2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0048 |
| Compound Name: | 2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 414.59 |
| Molecular Formula: | C22 H26 N2 O2 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CCSc1c(C#N)cc2CCCCc2n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3937 |
| logD: | 5.3937 |
| logSw: | -5.4437 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.228 |
| InChI Key: | SSFQHAPVFRZANZ-UHFFFAOYSA-N |