N'-[(E)-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
Chemical Structure Depiction of
N'-[(E)-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
N'-[(E)-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide
Compound characteristics
| Compound ID: | Y501-9443 |
| Compound Name: | N'-[(E)-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene]-5-(4-fluorophenyl)-7-(pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carbohydrazide |
| Molecular Weight: | 635.54 |
| Molecular Formula: | C30 H24 F7 N5 O3 |
| Smiles: | COc1ccc(/C=N/NC(c2cc3NC(CC(C(C(F)(F)F)(F)F)n3n2)c2ccc(cc2)F)=O)cc1COc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.6414 |
| logD: | 6.6413 |
| logSw: | -5.7123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.94 |
| InChI Key: | FEPVRPKMJGLMDC-UHFFFAOYSA-N |