4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2270-0011 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C18 H14 N2 O3 |
| Smiles: | CC1/C(=C\c2ccc3c(c2)OCO3)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3625 |
| logD: | 3.3625 |
| logSw: | -3.5852 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.702 |
| InChI Key: | RPCALRBJAYDENZ-UHFFFAOYSA-N |