2-(3,4-dichlorophenyl)-4-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-4-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dichlorophenyl)-4-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2000-0141 |
| Compound Name: | 2-(3,4-dichlorophenyl)-4-{[5-(4-methoxy-3-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 472.28 |
| Molecular Formula: | C22 H15 Cl2 N3 O5 |
| Smiles: | CC1/C(=C/c2ccc(c3ccc(c(c3)[N+]([O-])=O)OC)o2)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5238 |
| logD: | 5.5238 |
| logSw: | -6.1094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.868 |
| InChI Key: | SSEFXZRGYFCQLQ-UHFFFAOYSA-N |