4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | C508-0081 |
| Compound Name: | 4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5694 |
| logD: | 4.5694 |
| logSw: | -4.6269 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.781 |
| InChI Key: | RIHDDTHJOBUGTQ-UHFFFAOYSA-N |