2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8002-7948 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 336.45 |
| Molecular Formula: | C20 H20 N2 O S |
| Smiles: | Cc1ccc(C(CSc2c(C#N)cc3CCCCc3n2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1557 |
| logD: | 5.1557 |
| logSw: | -4.8898 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.439 |
| InChI Key: | AGDQOQIUCMYKBU-UHFFFAOYSA-N |