7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4116 |
| Compound Name: | 7-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 429.38 |
| Molecular Formula: | C20 H17 F2 N5 O4 |
| Smiles: | CCOc1cc(ccc1OC(F)F)C1C=C(c2cccc(c2)[N+]([O-])=O)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5858 |
| logD: | 3.5715 |
| logSw: | -3.7484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.883 |
| InChI Key: | ZDOVLKMDVGIDBA-INIZCTEOSA-N |