2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methylbenzoate
Chemical Structure Depiction of
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methylbenzoate
2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methylbenzoate
Compound characteristics
| Compound ID: | D288-0010 |
| Compound Name: | 2-{[5-cyano-2-(methylsulfanyl)-6-phenylpyrimidin-4-yl]amino}ethyl 3-methylbenzoate |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | Cc1cccc(c1)C(=O)OCCNc1c(C#N)c(c2ccccc2)nc(n1)SC |
| Stereo: | ACHIRAL |
| logP: | 5.4176 |
| logD: | 5.4176 |
| logSw: | -5.4657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.85 |
| InChI Key: | YSQUJZKWKAJKME-UHFFFAOYSA-N |