2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl butanoate
Chemical Structure Depiction of
2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl butanoate
2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl butanoate
Compound characteristics
| Compound ID: | D288-0048 |
| Compound Name: | 2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl butanoate |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C18 H19 Cl N4 O2 S |
| Smiles: | CCCC(=O)OCCNc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.8049 |
| logD: | 4.8049 |
| logSw: | -4.9797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.527 |
| InChI Key: | FSMCZJKWVIBCPQ-UHFFFAOYSA-N |