ethyl 4-amino-2-({2-oxo-2-[2-(propan-2-yl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-oxo-2-[2-(propan-2-yl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-oxo-2-[2-(propan-2-yl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0036 |
| Compound Name: | ethyl 4-amino-2-({2-oxo-2-[2-(propan-2-yl)anilino]ethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C18 H22 N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1ccccc1C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8773 |
| logD: | 2.8773 |
| logSw: | -3.3295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.684 |
| InChI Key: | DPVLIMJFVVFFMC-UHFFFAOYSA-N |