2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | C202-3321 |
| Compound Name: | 2-(benzylsulfanyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C19 H18 N2 O S |
| Smiles: | CC1(C)CC(c2cc(C#N)c(nc2C1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -4.0863 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.44 |
| InChI Key: | WCUNNKNYJUBPJN-UHFFFAOYSA-N |