7,7-dimethyl-5-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-5-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
7,7-dimethyl-5-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 4552-4180 |
| Compound Name: | 7,7-dimethyl-5-oxo-2-[(prop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 272.37 |
| Molecular Formula: | C15 H16 N2 O S |
| Smiles: | CC1(C)CC(c2cc(C#N)c(nc2C1)SCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3795 |
| logD: | 3.3795 |
| logSw: | -3.6411 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.711 |
| InChI Key: | WKZBRXQOJDLOHD-UHFFFAOYSA-N |