4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 6481-6641 |
| Compound Name: | 4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C27 H24 N2 O3 S |
| Smiles: | CC1(C)CC(c2c(c3ccc(cc3)OC)c(C#N)c(nc2C1)SCC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3154 |
| logD: | 5.3154 |
| logSw: | -5.4839 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.959 |
| InChI Key: | WAXFLXPTFSUPPO-UHFFFAOYSA-N |