ethyl 4-(4-anilinoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-anilinoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
ethyl 4-(4-anilinoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D278-0532 |
| Compound Name: | ethyl 4-(4-anilinoanilino)-2-(methylsulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CCOC(c1cnc(nc1Nc1ccc(cc1)Nc1ccccc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9577 |
| logD: | 4.9577 |
| logSw: | -4.4486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.272 |
| InChI Key: | NWXCGXFHVOSTEP-UHFFFAOYSA-N |