2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1085-1034 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 398.95 |
| Molecular Formula: | C22 H23 Cl N2 O S |
| Smiles: | CC(C)Cc1c2CCCCc2nc(c1C#N)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2799 |
| logD: | 6.2799 |
| logSw: | -6.3232 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.439 |
| InChI Key: | SUXKLKSPQYFGSU-UHFFFAOYSA-N |