N-(4-acetylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-(4-acetylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0987 |
| Compound Name: | N-(4-acetylphenyl)-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C16 H17 N3 O2 S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1ccc(cc1)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5936 |
| logD: | 2.5032 |
| logSw: | -3.0661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.237 |
| InChI Key: | XOMKXRPDZWLNDK-UHFFFAOYSA-N |