methyl 4-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
methyl 4-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D287-0123 |
| Compound Name: | methyl 4-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C20 H15 Cl N4 O2 S |
| Smiles: | COC(c1ccc(cc1)Nc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4184 |
| logD: | 5.4184 |
| logSw: | -6.3302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.813 |
| InChI Key: | NPYWWZVYWJJIMZ-UHFFFAOYSA-N |