2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-9296 |
| Compound Name: | 2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C27 H23 N3 O3 S |
| Smiles: | COc1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)cc2CC(CCc2n1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6887 |
| logD: | 4.6887 |
| logSw: | -4.5795 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.655 |
| InChI Key: | XXGKMGOFSRDVMS-UHFFFAOYSA-N |