5-({4-[1-(2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
Chemical Structure Depiction of
5-({4-[1-(2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
5-({4-[1-(2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid
Compound characteristics
| Compound ID: | Y501-7333 |
| Compound Name: | 5-({4-[1-(2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}hydrazinylidene)ethyl]phenoxy}methyl)furan-2-carboxylic acid |
| Molecular Weight: | 521.49 |
| Molecular Formula: | C25 H23 N5 O8 |
| Smiles: | C/C(c1ccc(cc1)OCc1ccc(C(O)=O)o1)=N/NC(c1ccc(Cn2c(C)c(c(C)n2)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9339 |
| logD: | -1.05 |
| logSw: | -3.3023 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.222 |
| InChI Key: | NVMIPLCJRFARKH-UHFFFAOYSA-N |