N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
Chemical Structure Depiction of
N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | Y020-0996 |
| Compound Name: | N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide |
| Molecular Weight: | 385.43 |
| Molecular Formula: | C21 H19 N7 O |
| Smiles: | Cc1cc(C)nc(Nc2nc(c3ccc(cc3)NC(c3ccccc3)=O)[nH]n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.617 |
| logD: | 3.6001 |
| logSw: | -3.7839 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.479 |
| InChI Key: | VLYXIMFIYUFZNQ-UHFFFAOYSA-N |