2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
Chemical Structure Depiction of
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D288-0014 |
| Compound Name: | 2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methoxybenzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | COc1cccc(c1)C(=O)OCCNc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.1087 |
| logD: | 5.1087 |
| logSw: | -5.0828 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.394 |
| InChI Key: | XQFRGYRSTPASQL-UHFFFAOYSA-N |