6-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Formula:C21H16N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a drug-like molecule.
| MolName | 6-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione |
| MolecularFormula | C21H16N3O4ClS |
| Smiles | COc(cc1)cc(C=C(C(N2N=C3Cc(cccc4)c4Cl)=O)SC2=NC3=O)c1OC |
| InChI | InChI=1S/C21H16ClN3O4S/c1-28-14-7-8-17(29-2)13(9-14)11-18-20(27)25-21(30-18)23-19(26)16(24-25)10-12-5-3-4-6-15(12)22/h3-9,11H,10H2,1-2H3 |
| InChIK | WAXWUJVGSXPUGF-UHFFFAOYSA-N |
| TotalMolweight | 441.894 |
| Molweight | 441.894 |
| MonoisotopicMass | 441.055004 |
| CLogP | 3.1838 |
| CLogS | -5.501 |
| H Acceptors | 7 |
| TotalSurfaceArea | 313.66 |
| Relative PSA | 0.28738 |
| PolarSurfaceArea | 105.86 |
| Druglikeness | 5.9361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 6-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - 6-[(2-chlorophenyl)methyl]-2-[(2,5-dimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
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