ethyl 4-amino-2-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0322 |
| Compound Name: | ethyl 4-amino-2-({1-oxo-1-[4-(propan-2-yl)anilino]butan-2-yl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)C(C)C)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.557 |
| logD: | 4.557 |
| logSw: | -4.4289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.595 |
| InChI Key: | HIBQQHGBSGDETI-INIZCTEOSA-N |