2-(3,4-dichlorophenyl)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dichlorophenyl)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1589-0056 |
| Compound Name: | 2-(3,4-dichlorophenyl)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 442.26 |
| Molecular Formula: | C21 H13 Cl2 N3 O4 |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.046 |
| logD: | 6.046 |
| logSw: | -6.3286 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.538 |
| InChI Key: | XSYIOOJRVOAIDU-UHFFFAOYSA-N |