2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
Compound characteristics
| Compound ID: | D288-0025 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(=O)OCCNc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.1186 |
| logD: | 6.1186 |
| logSw: | -5.5946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | DZHYQLOQYLXLQR-UHFFFAOYSA-N |