| MolName | 1,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,2,4-triazole-3-carboxamide |
| MolecularFormula | C24H19N5O |
| Smiles | O=C(c(nc1-c2ccccc2)nn1-c1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C24H19N5O/c30-24(27-25-18-10-13-19-11-4-1-5-12-19)22-26-23(20-14-6-2-7-15-20)29(28-22)21-16-8-3-9-17-21/h1-18H,(H,27,30) |
| InChIK | GIQFACJYJDEQDF-UHFFFAOYSA-N |
| TotalMolweight | 393.449 |
| Molweight | 393.449 |
| MonoisotopicMass | 393.15896 |
| CLogP | 3.7975 |
| CLogS | -5.554 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.73 |
| Relative PSA | 0.20273 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.5656 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 1,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,2,4-triazole-3-carboxamide | 2 - 1,5-diphenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,2,4-triazole-3-carboxamide