N-[(4-ethoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(4-ethoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0541 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C21 H21 N3 O2 S |
| Smiles: | CCOc1ccc(CNC(c2cnc(nc2c2ccccc2)SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2312 |
| logD: | 4.2312 |
| logSw: | -4.0854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.089 |
| InChI Key: | IBCWBGAWLVLTEB-UHFFFAOYSA-N |