2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | D288-0018 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C18 H20 N4 O2 S |
| Smiles: | CCC(=O)OCCNc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.1656 |
| logD: | 4.1656 |
| logSw: | -4.2153 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.527 |
| InChI Key: | BKWVRAVWACHIKS-UHFFFAOYSA-N |