4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]benzamide
Chemical Structure Depiction of
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]benzamide
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]benzamide
Compound characteristics
| Compound ID: | Y044-3714 |
| Compound Name: | 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]benzamide |
| Molecular Weight: | 385.43 |
| Molecular Formula: | C21 H19 N7 O |
| Smiles: | Cc1cc(C)nc(Nc2ccc(cc2)C(Nc2cccc(c2)c2nc[nH]n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1259 |
| logD: | 3.1216 |
| logSw: | -3.4009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.992 |
| InChI Key: | PYFQXUWVRDDJGR-UHFFFAOYSA-N |