2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate
Compound characteristics
| Compound ID: | D288-0031 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl furan-2-carboxylate |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCOC(c2ccco2)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.3864 |
| logD: | 4.3864 |
| logSw: | -4.3848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.429 |
| InChI Key: | DEMNRYKRMVHEAH-UHFFFAOYSA-N |