2-(4-ethylphenyl)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(4-ethylphenyl)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(4-ethylphenyl)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4410-0965 |
| Compound Name: | 2-(4-ethylphenyl)-5-methyl-4-{[5-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C25 H20 N2 O4 |
| Smiles: | CCc1ccc(cc1)N1C(C(=C\c2ccc(c3ccc4C(=O)OCc4c3)o2)\C(C)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9593 |
| logD: | 4.9593 |
| logSw: | -4.7323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.729 |
| InChI Key: | RXLSMGDBUWXEKQ-UHFFFAOYSA-N |