2-(3-chlorophenyl)-4-[(3,4-dinitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-4-[(3,4-dinitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3-chlorophenyl)-4-[(3,4-dinitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8005-3120 |
| Compound Name: | 2-(3-chlorophenyl)-4-[(3,4-dinitroanilino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 401.76 |
| Molecular Formula: | C17 H12 Cl N5 O5 |
| Smiles: | CC1/C(=C/Nc2ccc(c(c2)[N+]([O-])=O)[N+]([O-])=O)C(N(c2cccc(c2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4739 |
| logD: | 2.4917 |
| logSw: | -3.8249 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.349 |
| InChI Key: | SMHDHVQBAHSFAD-UHFFFAOYSA-N |