2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl propanoate
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | D288-0002 |
| Compound Name: | 2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl propanoate |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | CCC(=O)OCCNc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 3.6371 |
| logD: | 3.6371 |
| logSw: | -4.012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.527 |
| InChI Key: | YQKVBJBIAFIZHP-UHFFFAOYSA-N |