methyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
methyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D287-0099 |
| Compound Name: | methyl 4-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C21 H18 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(Nc2ccc(cc2)C(=O)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.2471 |
| logD: | 5.247 |
| logSw: | -5.2072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.813 |
| InChI Key: | DOAYRQRIRGHKJB-UHFFFAOYSA-N |