| MolName | (2Z)-6-benzyl-2-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C19H12N3O2FS |
| Smiles | O=C(/C(/SC1=N2)=C/c(cc3)ccc3F)N1N=C(Cc1ccccc1)C2=O |
| InChI | InChI=1S/C19H12FN3O2S/c20-14-8-6-13(7-9-14)11-16-18(25)23-19(26-16)21-17(24)15(22-23)10-12-4-2-1-3-5-12/h1-9,11H,10H2 |
| InChIK | JCGIOZPTUSTFHI-UHFFFAOYSA-N |
| TotalMolweight | 365.387 |
| Molweight | 365.387 |
| MonoisotopicMass | 365.063425 |
| CLogP | 2.8186 |
| CLogS | -5.043 |
| H Acceptors | 5 |
| TotalSurfaceArea | 260.07 |
| Relative PSA | 0.2697 |
| PolarSurfaceArea | 87.4 |
| Druglikeness | 4.5502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (2Z)-6-benzyl-2-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-6-benzyl-2-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione