(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C23H13N3O3ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.
| MolName | (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C23H13N3O3ClF3S |
| Smiles | O=C1n2nc(COc3ccccc3)nc2S/C1=C\c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1 |
| InChI | InChI=1S/C23H13ClF3N3O3S/c24-17-8-6-13(23(25,26)27)10-16(17)18-9-7-15(33-18)11-19-21(31)30-22(34-19)28-20(29-30)12-32-14-4-2-1-3-5-14/h1-11H,12H2 |
| InChIK | LGBXRRORAULXME-UHFFFAOYSA-N |
| TotalMolweight | 503.887 |
| Molweight | 503.887 |
| MonoisotopicMass | 503.031823 |
| CLogP | 5.3432 |
| CLogS | -7.004 |
| H Acceptors | 6 |
| TotalSurfaceArea | 344.04 |
| Relative PSA | 0.24256 |
| PolarSurfaceArea | 95.45 |
| Druglikeness | -2.0675 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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