2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
Chemical Structure Depiction of
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate
Compound characteristics
| Compound ID: | D288-0033 |
| Compound Name: | 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl propanoate |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CCC(=O)OCCNc1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.5367 |
| logD: | 5.5367 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.527 |
| InChI Key: | QIMZZYZNJQHDCW-UHFFFAOYSA-N |