7-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]triazin-4-one
Formula:C24H18N6O2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
7-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]triazin-4-one is a drug-like molecule.
| MolName | 7-phenyl-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyrazolo[3,4-d]triazin-4-one |
| MolecularFormula | C24H18N6O2 |
| Smiles | O=C1N(/N=C\c(cc2)ccc2OCc2ccccc2)N=Nc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C24H18N6O2/c31-24-22-16-25-29(20-9-5-2-6-10-20)23(22)27-28-30(24)26-15-18-11-13-21(14-12-18)32-17-19-7-3-1-4-8-19/h1-16H,17H2 |
| InChIK | USMSUKLURIYTJV-UHFFFAOYSA-N |
| TotalMolweight | 422.447 |
| Molweight | 422.447 |
| MonoisotopicMass | 422.149124 |
| CLogP | 4.738 |
| CLogS | -5.317 |
| H Acceptors | 8 |
| TotalSurfaceArea | 326.59 |
| Relative PSA | 0.24177 |
| PolarSurfaceArea | 84.44 |
| Druglikeness | -0.037362 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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