5-({4-[1-(2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
Chemical Structure Depiction of
5-({4-[1-(2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
5-({4-[1-(2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-7338 |
| Compound Name: | 5-({4-[1-(2-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid |
| Molecular Weight: | 531.52 |
| Molecular Formula: | C27 H25 N5 O7 |
| Smiles: | C/C(c1ccc(cc1)OCc1ccc(C(O)=O)o1)=N/NC(c1ccccc1Cn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3103 |
| logD: | -0.6736 |
| logSw: | -3.5726 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.381 |
| InChI Key: | DDYYOUDRADDKCM-UHFFFAOYSA-N |