6-methyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
6-methyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
6-methyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3076-0366 |
| Compound Name: | 6-methyl-2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 405.4 |
| Molecular Formula: | C19 H14 F3 N3 O2 S |
| Smiles: | Cc1ccc(cc1)N1C(CC(C1=O)Sc1c(C#N)c(cc(C)n1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3892 |
| logD: | 3.3892 |
| logSw: | -3.8326 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.768 |
| InChI Key: | RMCPIMXCWHFWCW-HNNXBMFYSA-N |