2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C10H9N5O4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C10H9N5O4S |
| Smiles | O=C(CSC(C(N1)=O)=NNC1=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C10H9N5O4S/c16-7(13-11-4-6-2-1-3-19-6)5-20-9-8(17)12-10(18)15-14-9/h1-4H,5H2,(H,13,16)(H2,12,15,17,18) |
| InChIK | GVPILCYPPCJNKW-UHFFFAOYSA-N |
| TotalMolweight | 295.278 |
| Molweight | 295.278 |
| MonoisotopicMass | 295.037525 |
| CLogP | -0.7128 |
| CLogS | -2.608 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 216.06 |
| Relative PSA | 0.59298 |
| PolarSurfaceArea | 150.46 |
| Druglikeness | 6.8939 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide | 2 - 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
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