2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl benzoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl benzoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl benzoate
Compound characteristics
| Compound ID: | D288-0024 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl benzoate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCOC(c2ccccc2)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.5901 |
| logD: | 5.5901 |
| logSw: | -5.6981 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | YRHJNCRLHJFAHQ-UHFFFAOYSA-N |