2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
Chemical Structure Depiction of
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D288-0030 |
| Compound Name: | 2-{[5-cyano-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidin-4-yl]amino}ethyl 3-methoxybenzoate |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NCCOC(c2cccc(c2)OC)=O)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.6371 |
| logD: | 5.6371 |
| logSw: | -5.5366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.394 |
| InChI Key: | SESIXSUVGDOZKY-UHFFFAOYSA-N |