N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
Formula:C23H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide |
| MolecularFormula | C23H18N4O2 |
| Smiles | Oc(cccc1)c1C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C23H18N4O2/c28-21-14-8-7-13-20(21)23(29)25-24-15-18-16-27(19-11-5-2-6-12-19)26-22(18)17-9-3-1-4-10-17/h1-16,28H,(H,25,29) |
| InChIK | WEPLRXBIMCZCCO-UHFFFAOYSA-N |
| TotalMolweight | 382.422 |
| Molweight | 382.422 |
| MonoisotopicMass | 382.142976 |
| CLogP | 3.7749 |
| CLogS | -4.938 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 300.82 |
| Relative PSA | 0.22256 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 5.8801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide | 2 - N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
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