propan-2-yl {[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
propan-2-yl {[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8014-3794 |
| Compound Name: | propan-2-yl {[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Smiles: | CC(C)OC(CSc1c(C#N)c(c2ccc(cc2)OC)c2CCCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.221 |
| logD: | 5.2209 |
| logSw: | -5.0064 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.573 |
| InChI Key: | VIRUVEDTTXYRFX-UHFFFAOYSA-N |