2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
Chemical Structure Depiction of
2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate
Compound characteristics
| Compound ID: | G856-1412 |
| Compound Name: | 2-ethoxy-4-[5-methyl-6-(phenylcarbamoyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl benzoate |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C28 H25 N5 O4 |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1)=O)C1C(=C(C)Nc2ncnn12)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0741 |
| logD: | 4.0722 |
| logSw: | -4.2149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.756 |
| InChI Key: | CEYYLYPRHXFAJM-VWLOTQADSA-N |