methyl 4-{[2-(3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-(3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)hydrazinylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3253-5923 |
| Compound Name: | methyl 4-{[2-(3',5'-dimethyl-1'-phenyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)hydrazinylidene]methyl}benzoate |
| Molecular Weight: | 442.48 |
| Molecular Formula: | C24 H22 N6 O3 |
| Smiles: | Cc1c(c2cc(C(N/N=C/c3ccc(cc3)C(=O)OC)=O)[nH]n2)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5742 |
| logD: | 3.5734 |
| logSw: | -3.9221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.636 |
| InChI Key: | KUAGPKIJBSIBLP-UHFFFAOYSA-N |