5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-1H-isoindole-1,3(2H)-dione
5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4357-0846 |
| Compound Name: | 5-(5-{[1-(4-ethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C25 H19 N3 O4 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(c3ccc4C(NC(c4c3)=O)=O)o2)\C(C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5028 |
| logD: | 4.4826 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.922 |
| InChI Key: | OIFXMQMATHDQBP-UHFFFAOYSA-N |