2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-(2-methylpropyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-(2-methylpropyl)pyridine-3-carbonitrile
2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-(2-methylpropyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0371 |
| Compound Name: | 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-(2-methylpropyl)pyridine-3-carbonitrile |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CC(C)Cc1ccc(C#N)c(n1)SC1CC(N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0038 |
| logD: | 4.0038 |
| logSw: | -4.2608 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.456 |
| InChI Key: | PKJXRSABHBSMEQ-SFHVURJKSA-N |