2-chloro-5-(3-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(3-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
2-chloro-5-(3-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8009-7162 |
| Compound Name: | 2-chloro-5-(3-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| Molecular Weight: | 451.82 |
| Molecular Formula: | C22 H14 Cl N3 O6 |
| Smiles: | CC1/C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)C(N(c2ccc(c(c2)C(O)=O)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8105 |
| logD: | 1.0074 |
| logSw: | -4.744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.946 |
| InChI Key: | OTCOVKFIOPLLJF-UHFFFAOYSA-N |