N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide
Formula:C24H18N4O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C24H18N4O2F2 |
| Smiles | O=C(c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C24H18F2N4O2/c25-24(26)32-21-13-11-17(12-14-21)22-19(16-30(29-22)20-9-5-2-6-10-20)15-27-28-23(31)18-7-3-1-4-8-18/h1-16,24H,(H,28,31) |
| InChIK | HYEZXDHYLXXJNJ-UHFFFAOYSA-N |
| TotalMolweight | 432.429 |
| Molweight | 432.429 |
| MonoisotopicMass | 432.139782 |
| CLogP | 4.29 |
| CLogS | -5.856 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 329.67 |
| Relative PSA | 0.19368 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 2.9848 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| 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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