5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8016-7390 |
| Compound Name: | 5-methyl-4-[(5-nitrofuran-2-yl)methylidene]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 400.6 |
| Molecular Formula: | C15 H8 Cl3 N3 O4 |
| Smiles: | CC1/C(=C\c2ccc([N+]([O-])=O)o2)C(N(c2c(cc(cc2[Cl])[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4222 |
| logD: | 4.4222 |
| logSw: | -4.638 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.816 |
| InChI Key: | SRDKXFHMUCLYFK-UHFFFAOYSA-N |