2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl acetate
Chemical Structure Depiction of
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl acetate
2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl acetate
Compound characteristics
| Compound ID: | D288-0032 |
| Compound Name: | 2-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl acetate |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C20 H24 N4 O2 S |
| Smiles: | CC(=O)OCCNc1c(C#N)c(c2ccc(cc2)C(C)(C)C)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.1006 |
| logD: | 5.1006 |
| logSw: | -4.9292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.224 |
| InChI Key: | VIINCQYCLDDYPP-UHFFFAOYSA-N |