3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
Formula:C20H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide |
| MolecularFormula | C20H19N5O4 |
| Smiles | O=C(CCC(C(N1)=O)=NNC1=O)N/N=C/c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C20H19N5O4/c26-18(11-10-17-19(27)22-20(28)25-23-17)24-21-12-14-6-8-16(9-7-14)29-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H,24,26)(H2,22,25,27,28) |
| InChIK | NHJUTNNDLQXIGF-UHFFFAOYSA-N |
| TotalMolweight | 393.402 |
| Molweight | 393.402 |
| MonoisotopicMass | 393.143705 |
| CLogP | 2.2761 |
| CLogS | -4.972 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 306.16 |
| Relative PSA | 0.34792 |
| PolarSurfaceArea | 121.25 |
| Druglikeness | 5.6962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide | 2 - 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
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