3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide
Formula:C20H20N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide |
| MolecularFormula | C20H20N6O4 |
| Smiles | O=C(CCNC(C(N1)=O)=NNC1=O)N/N=C/c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C20H20N6O4/c27-17(9-10-21-18-19(28)23-20(29)26-25-18)24-22-12-15-7-4-8-16(11-15)30-13-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,21,25)(H,24,27)(H2,23,26,28,29) |
| InChIK | RWGJDZFWRRZWJC-UHFFFAOYSA-N |
| TotalMolweight | 408.417 |
| Molweight | 408.417 |
| MonoisotopicMass | 408.154604 |
| CLogP | 1.1471 |
| CLogS | -4.547 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 317.62 |
| Relative PSA | 0.37145 |
| PolarSurfaceArea | 133.28 |
| Druglikeness | 6.6914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide | 2 - 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]propanamide
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