2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
Chemical Structure Depiction of
2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate
Compound characteristics
| Compound ID: | D288-0053 |
| Compound Name: | 2-{[6-(4-chlorophenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-methylbenzoate |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1)C(=O)OCCNc1c(C#N)c(c2ccc(cc2)[Cl])nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.2899 |
| logD: | 6.2899 |
| logSw: | -6.3848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | PBEFMGAYDZYKPB-UHFFFAOYSA-N |