3-(benzylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-(benzylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-(benzylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3993-1439 |
| Compound Name: | 3-(benzylsulfanyl)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 308.44 |
| Molecular Formula: | C19 H20 N2 S |
| Smiles: | CCc1c2CCCCc2c(C#N)c(n1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0391 |
| logD: | 5.0391 |
| logSw: | -4.7964 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9566 |
| InChI Key: | YWZJABAZIJRSPK-UHFFFAOYSA-N |