N-[(2-ethoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
N-[(2-ethoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0190 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-4-methyl-2-(methylsulfanyl)pyrimidine-5-carboxamide |
| Molecular Weight: | 317.41 |
| Molecular Formula: | C16 H19 N3 O2 S |
| Smiles: | CCOc1ccccc1CNC(c1cnc(nc1C)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1983 |
| logD: | 3.198 |
| logSw: | -3.3585 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.254 |
| InChI Key: | GHOIKDDDIYFPSC-UHFFFAOYSA-N |