3-(ethylsulfanyl)-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-(ethylsulfanyl)-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-(ethylsulfanyl)-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3630-0652 |
| Compound Name: | 3-(ethylsulfanyl)-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 301.45 |
| Molecular Formula: | C17 H23 N3 S |
| Smiles: | CCSc1c(C#N)c2CCCCc2c(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0685 |
| logD: | 5.0685 |
| logSw: | -4.7149 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 29.3479 |
| InChI Key: | XTLMBDNMLCKCLZ-UHFFFAOYSA-N |