ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D624-0010 |
| Compound Name: | ethyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)Nc1c(C#N)c(c2ccc(C)cc2)nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7577 |
| logD: | 5.7577 |
| logSw: | -5.5727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.393 |
| InChI Key: | KXQYWQWVPOQFBD-UHFFFAOYSA-N |