3-{[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 8004-8767 |
| Compound Name: | 3-{[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl}-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 388.91 |
| Molecular Formula: | C20 H21 Cl N2 O2 S |
| Smiles: | Cc1c2CCCCc2c(C#N)c(n1)SCC(COc1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.974 |
| logD: | 4.974 |
| logSw: | -4.7901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.386 |
| InChI Key: | VRVMWSQDBSVHTJ-HNNXBMFYSA-N |