2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 6481-6682 |
| Compound Name: | 2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C24 H24 N2 O4 S |
| Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCC(c1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8506 |
| logD: | 3.8506 |
| logSw: | -4.3226 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.51 |
| InChI Key: | GKNYSSDBXPACKI-UHFFFAOYSA-N |