2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-4601 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 414.95 |
| Molecular Formula: | C21 H16 Cl F N2 S2 |
| Smiles: | C1CCc2c(C1)c(c(C#N)c(n2)SCc1c(cccc1[Cl])F)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 6.7812 |
| logD: | 6.7812 |
| logSw: | -7.008 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.9386 |
| InChI Key: | BHKUVXLBGSCTQL-UHFFFAOYSA-N |