1-{7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
1-{7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one
Compound characteristics
| Compound ID: | 3339-3639 |
| Compound Name: | 1-{7-[4-(benzyloxy)-3-ethoxyphenyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethan-1-one |
| Molecular Weight: | 404.47 |
| Molecular Formula: | C23 H24 N4 O3 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1)C1C(=C(C)Nc2ncnn12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1678 |
| logD: | 3.0997 |
| logSw: | -3.2667 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.341 |
| InChI Key: | KKEPHVDNURIWJD-QFIPXVFZSA-N |