methyl 4-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
methyl 4-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D490-0048 |
| Compound Name: | methyl 4-{[6-(4-tert-butylphenyl)-5-cyano-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c(C#N)c(Nc2ccc(cc2)C(=O)OC)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 6.6181 |
| logD: | 6.6181 |
| logSw: | -5.8287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.813 |
| InChI Key: | DKVFUKRJNHFYCZ-UHFFFAOYSA-N |