N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
Formula:C23H18N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine |
| MolecularFormula | C23H18N6O |
| Smiles | C(c1ccccc1)Oc1c(/C=N\Nc(c2c3cccc2)nn2c3nnc2)cccc1 |
| InChI | InChI=1S/C23H18N6O/c1-2-8-17(9-3-1)15-30-21-13-7-4-10-18(21)14-24-26-22-19-11-5-6-12-20(19)23-27-25-16-29(23)28-22/h1-14,16H,15H2,(H,26,28) |
| InChIK | QRFDFRDBZPCHNU-UHFFFAOYSA-N |
| TotalMolweight | 394.437 |
| Molweight | 394.437 |
| MonoisotopicMass | 394.154209 |
| CLogP | 5.2472 |
| CLogS | -6.578 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 308.89 |
| Relative PSA | 0.23902 |
| PolarSurfaceArea | 76.7 |
| Druglikeness | 3.6571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine | 2 - N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
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