4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8012-3085 |
| Compound Name: | 4-[(4-tert-butylphenyl)methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C21 H20 Cl N3 O3 |
| Smiles: | CC1/C(=C\c2ccc(cc2)C(C)(C)C)C(N(c2cc(ccc2[N+]([O-])=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8633 |
| logD: | 5.8633 |
| logSw: | -6.2195 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.367 |
| InChI Key: | VOANQJKFSCUHHF-UHFFFAOYSA-N |