4-chloro-N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
Chemical Structure Depiction of
4-chloro-N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
4-chloro-N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide
Compound characteristics
| Compound ID: | Y020-1867 |
| Compound Name: | 4-chloro-N-(4-{3-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-1,2,4-triazol-5-yl}phenyl)benzamide |
| Molecular Weight: | 419.87 |
| Molecular Formula: | C21 H18 Cl N7 O |
| Smiles: | Cc1cc(C)nc(Nc2nc(c3ccc(cc3)NC(c3ccc(cc3)[Cl])=O)[nH]n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3168 |
| logD: | 4.2999 |
| logSw: | -4.5834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.479 |
| InChI Key: | HYYXXYJJUMEHQC-UHFFFAOYSA-N |