2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl acetate
Chemical Structure Depiction of
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl acetate
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl acetate
Compound characteristics
| Compound ID: | D288-0001 |
| Compound Name: | 2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl acetate |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CC(=O)OCCNc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.2011 |
| logD: | 3.2011 |
| logSw: | -3.3255 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.224 |
| InChI Key: | XODUWERSHYIRKM-UHFFFAOYSA-N |