N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
Formula:C24H17N4O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide |
| MolecularFormula | C24H17N4O2Cl3 |
| Smiles | O=C(COc(c(Cl)c1)cc(Cl)c1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C24H17Cl3N4O2/c25-19-11-21(27)22(12-20(19)26)33-15-23(32)29-28-13-17-14-31(18-9-5-2-6-10-18)30-24(17)16-7-3-1-4-8-16/h1-14H,15H2,(H,29,32) |
| InChIK | BEZBEQIOVPJJSJ-UHFFFAOYSA-N |
| TotalMolweight | 499.784 |
| Molweight | 499.784 |
| MonoisotopicMass | 498.041707 |
| CLogP | 5.5135 |
| CLogS | -7.222 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 364.49 |
| Relative PSA | 0.17518 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.7405 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
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