3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3993-1437 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 377.33 |
| Molecular Formula: | C19 H18 Cl2 N2 S |
| Smiles: | CCc1c2CCCCc2c(C#N)c(n1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6337 |
| logD: | 6.6337 |
| logSw: | -6.7407 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.9566 |
| InChI Key: | GTWHXTAGZDRLKR-UHFFFAOYSA-N |