tert-butyl {[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
tert-butyl {[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8003-4531 |
| Compound Name: | tert-butyl {[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCc2nc(c1C#N)SCC(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.3089 |
| logD: | 6.3088 |
| logSw: | -5.433 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.46 |
| InChI Key: | LXDSQDKGAXQJOL-UHFFFAOYSA-N |