N-[(Z)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(4-chlorophenoxy)acetamide
Formula:C25H19N4O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(4-chlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(4-chlorophenoxy)acetamide |
| MolecularFormula | C25H19N4O2Cl2F |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c1cn(Cc(c(F)ccc2)c2Cl)nc1-c1ccccc1 |
| InChI | InChI=1S/C25H19Cl2FN4O2/c26-19-9-11-20(12-10-19)34-16-24(33)30-29-13-18-14-32(15-21-22(27)7-4-8-23(21)28)31-25(18)17-5-2-1-3-6-17/h1-14H,15-16H2,(H,30,33) |
| InChIK | UTFVALYBFFZADV-UHFFFAOYSA-N |
| TotalMolweight | 497.356 |
| Molweight | 497.356 |
| MonoisotopicMass | 496.086908 |
| CLogP | 5.2593 |
| CLogS | -6.622 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 369.18 |
| Relative PSA | 0.17295 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 4.9334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(4-chlorophenoxy)acetamide | 2 - N-[(Z)-[1-[(2-chloro-6-fluorophenyl)methyl]-3-phenylpyrazol-4-yl]methylideneamino]-2-(4-chlorophenoxy)acetamide
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