N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
Formula:C28H22N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide |
| MolecularFormula | C28H22N4O2 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C28H22N4O2/c33-27(20-34-26-16-15-21-9-7-8-12-23(21)17-26)30-29-18-24-19-32(25-13-5-2-6-14-25)31-28(24)22-10-3-1-4-11-22/h1-19H,20H2,(H,30,33) |
| InChIK | JAAHJHVKMJKNNL-UHFFFAOYSA-N |
| TotalMolweight | 446.509 |
| Molweight | 446.509 |
| MonoisotopicMass | 446.174276 |
| CLogP | 4.8899 |
| CLogS | -6.62 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 352.83 |
| Relative PSA | 0.18097 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 5.7098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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