2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 6481-6643 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 500.57 |
| Molecular Formula: | C28 H24 N2 O5 S |
| Smiles: | CC1(C)CC(c2c(c3ccc(cc3)OC)c(C#N)c(nc2C1)SCC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.578 |
| logD: | 5.578 |
| logSw: | -5.5681 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.074 |
| InChI Key: | ZZUXQJGYTBTLAP-UHFFFAOYSA-N |