4-ethyl-N-[(3-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-5-carboxamide
4-ethyl-N-[(3-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-1076 |
| Compound Name: | 4-ethyl-N-[(3-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CCc1c(cnc(n1)SC)C(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1125 |
| logD: | 3.1124 |
| logSw: | -3.3316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.276 |
| InChI Key: | ATWVWEDSNSHYTK-UHFFFAOYSA-N |