2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
Chemical Structure Depiction of
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate
Compound characteristics
| Compound ID: | D288-0035 |
| Compound Name: | 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 2-methylpropanoate |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C22 H28 N4 O2 S |
| Smiles: | CC(C)C(=O)OCCNc1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.1284 |
| logD: | 6.1284 |
| logSw: | -5.5678 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.122 |
| InChI Key: | JJTBRSFCJXNBCM-UHFFFAOYSA-N |