(5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C22H13N3O3Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[[5-(2,6-dichlorophenyl)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-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C22H13N3O3Cl2S |
| Smiles | O=C1n2nc(COc3ccccc3)nc2S/C1=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1 |
| InChI | InChI=1S/C22H13Cl2N3O3S/c23-15-7-4-8-16(24)20(15)17-10-9-14(30-17)11-18-21(28)27-22(31-18)25-19(26-27)12-29-13-5-2-1-3-6-13/h1-11H,12H2 |
| InChIK | GYWSJILHUDHXTB-UHFFFAOYSA-N |
| TotalMolweight | 470.335 |
| Molweight | 470.335 |
| MonoisotopicMass | 469.005466 |
| CLogP | 5.1009 |
| CLogS | -6.962 |
| H Acceptors | 6 |
| TotalSurfaceArea | 330 |
| Relative PSA | 0.25288 |
| PolarSurfaceArea | 95.45 |
| Druglikeness | 5.1225 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-2-(phenoxymethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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