propan-2-yl 4-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
propan-2-yl 4-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
propan-2-yl 4-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3972-0074 |
| Compound Name: | propan-2-yl 4-(3-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 473.48 |
| Molecular Formula: | C26 H23 N3 O6 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c3cc(ccc3C)[N+]([O-])=O)o2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7082 |
| logD: | 5.7082 |
| logSw: | -5.4741 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.971 |
| InChI Key: | LADKZHYBOGDUJS-UHFFFAOYSA-N |