3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Formula:C24H18N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C24H18N4O2Cl2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCc(cccc2)c2Cl)n[nH]1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C24H18Cl2N4O2/c25-19-9-5-16(6-10-19)14-27-30-24(31)23-13-22(28-29-23)17-7-11-20(12-8-17)32-15-18-3-1-2-4-21(18)26/h1-14H,15H2,(H,28,29)(H,30,31) |
| InChIK | COIYXOBYJORCSK-UHFFFAOYSA-N |
| TotalMolweight | 465.339 |
| Molweight | 465.339 |
| MonoisotopicMass | 464.08068 |
| CLogP | 5.4595 |
| CLogS | -6.909 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 349.44 |
| Relative PSA | 0.2031 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 5.365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| 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 | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide | 2 - 3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(Z)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
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