2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C19H17N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H17N5O4 |
| Smiles | O=C(CC(C(N1)=O)=NNC1=O)N/N=C/c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C19H17N5O4/c25-17(10-16-18(26)21-19(27)24-22-16)23-20-11-13-6-8-15(9-7-13)28-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H,23,25)(H2,21,24,26,27) |
| InChIK | IZAQSBMXKDUKEZ-UHFFFAOYSA-N |
| TotalMolweight | 379.375 |
| Molweight | 379.375 |
| MonoisotopicMass | 379.128055 |
| CLogP | 1.8217 |
| CLogS | -4.702 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 292.4 |
| Relative PSA | 0.3643 |
| PolarSurfaceArea | 121.25 |
| Druglikeness | 6.8064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
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