N-[(Z)-naphthalen-2-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
Formula:C26H19N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-naphthalen-2-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide |
| MolecularFormula | C26H19N5O |
| Smiles | O=C(c(nc1-c2ccccc2)nn1-c1ccccc1)N/N=C\c1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H19N5O/c32-26(29-27-18-19-15-16-20-9-7-8-12-22(20)17-19)24-28-25(21-10-3-1-4-11-21)31(30-24)23-13-5-2-6-14-23/h1-18H,(H,29,32) |
| InChIK | QOJMNIDIKQXVOE-UHFFFAOYSA-N |
| TotalMolweight | 417.471 |
| Molweight | 417.471 |
| MonoisotopicMass | 417.15896 |
| CLogP | 4.9736 |
| CLogS | -6.868 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 327.83 |
| Relative PSA | 0.19772 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 6.5794 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-naphthalen-2-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide | 2 - N-[(Z)-naphthalen-2-ylmethylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
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