2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 6481-6679 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C22 H21 Cl N2 O2 S |
| Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1483 |
| logD: | 5.1483 |
| logSw: | -5.7957 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.687 |
| InChI Key: | YHQHCBBWSXVONI-UHFFFAOYSA-N |