3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Chemical Structure Depiction of
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Compound characteristics
| Compound ID: | 3966-1166 |
| Compound Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile |
| Molecular Weight: | 434.39 |
| Molecular Formula: | C21 H21 Cl2 N3 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(nc2N1CCOCC1)SCc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.2679 |
| logD: | 6.2679 |
| logSw: | -6.6756 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.985 |
| InChI Key: | HBUSOGTYFVMSIC-UHFFFAOYSA-N |