| MolName | (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C19H10N3O2Cl2FS |
| Smiles | O=C(/C(/SC1=N2)=C/c(ccc(Cl)c3)c3Cl)N1N=C(Cc(cc1)ccc1F)C2=O |
| InChI | InChI=1S/C19H10Cl2FN3O2S/c20-12-4-3-11(14(21)9-12)8-16-18(27)25-19(28-16)23-17(26)15(24-25)7-10-1-5-13(22)6-2-10/h1-6,8-9H,7H2 |
| InChIK | ULEPZZGJAKLUFJ-UHFFFAOYSA-N |
| TotalMolweight | 434.277 |
| Molweight | 434.277 |
| MonoisotopicMass | 432.985479 |
| CLogP | 4.0306 |
| CLogS | -6.515 |
| H Acceptors | 5 |
| TotalSurfaceArea | 290.91 |
| Relative PSA | 0.24111 |
| PolarSurfaceArea | 87.4 |
| Druglikeness | 4.5879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione