| MolName | 4-[(2,2-diphenylacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C27H22N4O2 |
| Smiles | O=C(C(c1ccccc1)c1ccccc1)Nc(cc1)ccc1C(N/N=C\c1cnccc1)=O |
| InChI | InChI=1S/C27H22N4O2/c32-26(31-29-19-20-8-7-17-28-18-20)23-13-15-24(16-14-23)30-27(33)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19,25H,(H,30,33)(H,31,32) |
| InChIK | WOALSWYXEIKQDA-UHFFFAOYSA-N |
| TotalMolweight | 434.498 |
| Molweight | 434.498 |
| MonoisotopicMass | 434.174276 |
| CLogP | 4.8739 |
| CLogS | -5.552 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 346.98 |
| Relative PSA | 0.20601 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 5.9211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-[(2,2-diphenylacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide | 2 - 4-[(2,2-diphenylacetyl)amino]-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide