benzyl {[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
benzyl {[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8003-4548 |
| Compound Name: | benzyl {[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C25 H21 Cl N2 O2 S |
| Smiles: | C1CCc2c(C1)c(c1ccc(cc1)[Cl])c(C#N)c(n2)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8251 |
| logD: | 6.825 |
| logSw: | -6.5731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.454 |
| InChI Key: | XDJIPEQCEZPUCS-UHFFFAOYSA-N |