4-[(3,5-di-tert-butyl-2-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(3,5-di-tert-butyl-2-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(3,5-di-tert-butyl-2-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-9371 |
| Compound Name: | 4-[(3,5-di-tert-butyl-2-methoxyphenyl)methylidene]-2-(3,4-dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 473.44 |
| Molecular Formula: | C26 H30 Cl2 N2 O2 |
| Smiles: | CC1/C(=C\c2cc(cc(c2OC)C(C)(C)C)C(C)(C)C)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2519 |
| logD: | 8.2519 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.304 |
| InChI Key: | DFGNOPJSZRNWMI-UHFFFAOYSA-N |