N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
Compound characteristics
| Compound ID: | F871-1316 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-[(2-phenylpyrimidin-4-yl)amino]benzamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C25 H22 N4 O S |
| Smiles: | CSc1ccc(CNC(c2cccc(c2)Nc2ccnc(c3ccccc3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5 |
| logD: | 5.3619 |
| logSw: | -5.4585 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.863 |
| InChI Key: | JZKZMBXDIHXIAG-UHFFFAOYSA-N |