4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5784-0052 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C20 H18 N2 O3 |
| Smiles: | CCCC1/C(=C\c2ccc3c(c2)OCO3)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2673 |
| logD: | 4.2671 |
| logSw: | -4.2989 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.433 |
| InChI Key: | OWRGMZXXZJDRIQ-UHFFFAOYSA-N |