N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
Compound characteristics
| Compound ID: | F725-1316 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(6-phenylpyrimidin-4-yl)amino]benzamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C25 H22 N4 O S |
| Smiles: | CSc1ccc(CNC(c2cccc(c2)Nc2cc(c3ccccc3)ncn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8466 |
| logD: | 5.7514 |
| logSw: | -5.5526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.67 |
| InChI Key: | NPXOHIZEIGEEKO-UHFFFAOYSA-N |