4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | C508-0078 |
| Compound Name: | 4-{[5-(4-ethoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C23 H19 N3 O5 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(\C=C2/C(C)=NN(C2=O)c2ccccc2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9569 |
| logD: | 4.9568 |
| logSw: | -4.7035 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.361 |
| InChI Key: | RGRRMOSGCYLDJB-UHFFFAOYSA-N |