propan-2-yl 4-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
propan-2-yl 4-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3972-0068 |
| Compound Name: | propan-2-yl 4-(4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C26 H23 N3 O7 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3OC)[N+]([O-])=O)o2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4338 |
| logD: | 5.4338 |
| logSw: | -5.4629 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.601 |
| InChI Key: | XLKQIPMAOLSGEY-UHFFFAOYSA-N |