2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5560 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 314.83 |
| Molecular Formula: | C17 H15 Cl N2 S |
| Smiles: | C1CCc2c(C1)cc(C#N)c(n2)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1699 |
| logD: | 5.1699 |
| logSw: | -5.7444 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.1917 |
| InChI Key: | WVTAUZULMYDCDT-UHFFFAOYSA-N |