2-(3,4-dimethylphenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dimethylphenyl)-5-methyl-4-{[5-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3033-1448 |
| Compound Name: | 2-(3,4-dimethylphenyl)-5-methyl-4-{[5-(3-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: | CC1/C(=C\c2ccc(c3ccc4COC(c4c3)=O)o2)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1925 |
| logD: | 5.1924 |
| logSw: | -5.1103 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.729 |
| InChI Key: | JQNMQXIFDUAOQK-UHFFFAOYSA-N |