4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-5228 |
| Compound Name: | 4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-methyl-2-(naphthalen-2-yl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 390.82 |
| Molecular Formula: | C22 H15 Cl N2 O3 |
| Smiles: | CC1/C(=C/c2cc3c(cc2[Cl])OCO3)C(N(c2ccc3ccccc3c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1321 |
| logD: | 5.1321 |
| logSw: | -5.8075 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.431 |
| InChI Key: | KCVGIYPZPOWXIE-UHFFFAOYSA-N |