2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-chlorobenzoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-chlorobenzoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-chlorobenzoate
Compound characteristics
Compound ID: | D288-0082 |
Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 4-chlorobenzoate |
Molecular Weight: | 438.93 |
Molecular Formula: | C22 H19 Cl N4 O2 S |
Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCOC(c2ccc(cc2)[Cl])=O)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: | UDBPXJWIWUBLPS-UHFFFAOYSA-N |