ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 4545-1552 |
| Compound Name: | ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 432.35 |
| Molecular Formula: | C21 H15 F3 N2 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(=C/c2ccc3c(c2)OCO3)\C(C(F)(F)F)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5316 |
| logD: | 4.5316 |
| logSw: | -4.374 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.283 |
| InChI Key: | NPHAKKFLDBPVEO-UHFFFAOYSA-N |