propan-2-yl 4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)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-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
propan-2-yl 4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3972-0067 |
| Compound Name: | propan-2-yl 4-(4-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 483.48 |
| Molecular Formula: | C27 H21 N3 O6 |
| Smiles: | CC(C)OC(c1ccc(cc1)N1C(C(=C/c2ccc(c3ccc4C(NC(c4c3)=O)=O)o2)\C(C)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2677 |
| logD: | 4.2476 |
| logSw: | -4.31 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.355 |
| InChI Key: | BOJIDOLSUOYBRL-UHFFFAOYSA-N |