(2R)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
Formula:C24H20N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C24H20N4O2 |
| Smiles | O[C@@H](C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1)=O)c1ccccc1 |
| InChI | InChI=1S/C24H20N4O2/c29-23(19-12-6-2-7-13-19)24(30)26-25-16-20-17-28(21-14-8-3-9-15-21)27-22(20)18-10-4-1-5-11-18/h1-17,23,29H,(H,26,30)/t23-/m1/s1 |
| InChIK | JMPWPQTZICWMLK-HSZRJFAPSA-N |
| TotalMolweight | 396.449 |
| Molweight | 396.449 |
| MonoisotopicMass | 396.158626 |
| CLogP | 3.0486 |
| CLogS | -4.651 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.32 |
| Relative PSA | 0.21368 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 6.4181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2-phenylacetamide | 2 - (2R)-N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
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