N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
Formula:C36H28N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide |
| MolecularFormula | C36H28N4O2 |
| Smiles | O=C(c1ccc(COc(cccc2)c2-c2ccccc2)cc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C36H28N4O2/c41-36(30-22-20-27(21-23-30)26-42-34-19-11-10-18-33(34)28-12-4-1-5-13-28)38-37-24-31-25-40(32-16-8-3-9-17-32)39-35(31)29-14-6-2-7-15-29/h1-25H,26H2,(H,38,41) |
| InChIK | FAYOVQNFQNBKGZ-UHFFFAOYSA-N |
| TotalMolweight | 548.644 |
| Molweight | 548.644 |
| MonoisotopicMass | 548.221226 |
| CLogP | 7.1279 |
| CLogS | -8.661 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 437.75 |
| Relative PSA | 0.14586 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.5525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54762 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 35 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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