2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl benzoate
Chemical Structure Depiction of
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl benzoate
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl benzoate
Compound characteristics
| Compound ID: | D288-0008 |
| Compound Name: | 2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl benzoate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | CSc1nc(c2ccccc2)c(C#N)c(NCCOC(c2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0617 |
| logD: | 5.0617 |
| logSw: | -4.7762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | JMUDBGMXEFIHCR-UHFFFAOYSA-N |