(2Z)-6-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Formula:C19H11N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-6-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a drug-like molecule.
| MolName | (2Z)-6-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C19H11N3O2Cl2S |
| Smiles | O=C(/C(/SC1=N2)=C/c3cc(Cl)ccc3)N1N=C(Cc(cccc1)c1Cl)C2=O |
| InChI | InChI=1S/C19H11Cl2N3O2S/c20-13-6-3-4-11(8-13)9-16-18(26)24-19(27-16)22-17(25)15(23-24)10-12-5-1-2-7-14(12)21/h1-9H,10H2 |
| InChIK | MOSALLVEVVQBJY-UHFFFAOYSA-N |
| TotalMolweight | 416.287 |
| Molweight | 416.287 |
| MonoisotopicMass | 414.994901 |
| CLogP | 3.9298 |
| CLogS | -6.201 |
| H Acceptors | 5 |
| TotalSurfaceArea | 284.56 |
| Relative PSA | 0.24649 |
| PolarSurfaceArea | 87.4 |
| Druglikeness | 5.9279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-6-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-6-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
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