N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide
Formula:C25H19N4OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide |
| MolecularFormula | C25H19N4OCl2F |
| Smiles | O=C(Cc(cc1)ccc1F)N/N=C\c1nn(Cc(c(Cl)ccc2)c2Cl)cc1-c1ccccc1 |
| InChI | InChI=1S/C25H19Cl2FN4O/c26-22-7-4-8-23(27)21(22)16-32-15-20(18-5-2-1-3-6-18)24(31-32)14-29-30-25(33)13-17-9-11-19(28)12-10-17/h1-12,14-15H,13,16H2,(H,30,33) |
| InChIK | MUOKJRLNIIEZNE-UHFFFAOYSA-N |
| TotalMolweight | 481.357 |
| Molweight | 481.357 |
| MonoisotopicMass | 480.091993 |
| CLogP | 5.6455 |
| CLogS | -7.139 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 359.18 |
| Relative PSA | 0.14992 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.0665 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide | 2 - N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-4-phenylpyrazol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide
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