4,6-dimethyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4,6-dimethyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carbonitrile
4,6-dimethyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0035 |
| Compound Name: | 4,6-dimethyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C19 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)c(C)cc(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7947 |
| logD: | 2.7947 |
| logSw: | -2.9412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.768 |
| InChI Key: | QXRHAZVAQRBNLQ-INIZCTEOSA-N |