4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3601-0078 |
| Compound Name: | 4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 375.21 |
| Molecular Formula: | C18 H12 Cl2 N2 O3 |
| Smiles: | CC1/C(=C\c2cc3c(cc2[Cl])OCO3)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5246 |
| logD: | 4.5246 |
| logSw: | -4.5569 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.702 |
| InChI Key: | YQXHZOBGXSQJDQ-UHFFFAOYSA-N |