propan-2-yl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
propan-2-yl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Compound characteristics
| Compound ID: | 3871-0329 |
| Compound Name: | propan-2-yl 4-{4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c(c2)OC)O)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4647 |
| logD: | 3.4598 |
| logSw: | -3.2809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.198 |
| InChI Key: | WMFYVEQNLVVPDA-UHFFFAOYSA-N |