4-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Chemical Structure Depiction of
4-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
4-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
Compound characteristics
| Compound ID: | D490-0328 |
| Compound Name: | 4-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile |
| Molecular Weight: | 374.48 |
| Molecular Formula: | C17 H18 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NC2CCS(C2)(=O)=O)nc(n1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5865 |
| logD: | 2.5865 |
| logSw: | -3.0029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.123 |
| InChI Key: | ITXQJZVKZPQIKA-CYBMUJFWSA-N |