3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C26H23N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C26H23N4O3Cl |
| Smiles | CCOc1ccc(/C=N\NC(c2cc(-c(cc3)ccc3OCc(cc3)ccc3Cl)n[nH]2)=O)cc1 |
| InChI | InChI=1S/C26H23ClN4O3/c1-2-33-22-11-5-18(6-12-22)16-28-31-26(32)25-15-24(29-30-25)20-7-13-23(14-8-20)34-17-19-3-9-21(27)10-4-19/h3-16H,2,17H2,1H3,(H,29,30)(H,31,32) |
| InChIK | UNQRFBZSNGMCOS-UHFFFAOYSA-N |
| TotalMolweight | 474.947 |
| Molweight | 474.947 |
| MonoisotopicMass | 474.145868 |
| CLogP | 5.1898 |
| CLogS | -6.491 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 370.04 |
| Relative PSA | 0.21881 |
| PolarSurfaceArea | 88.6 |
| Druglikeness | 3.9534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73529 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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