(6Z)-6-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C17H8N3OCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-6-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C17H8N3OCl2FS |
| Smiles | O=C(/C(/S1)=C/c(c(F)ccc2)c2Cl)n2c1nnc2-c1cc(Cl)ccc1 |
| InChI | InChI=1S/C17H8Cl2FN3OS/c18-10-4-1-3-9(7-10)15-21-22-17-23(15)16(24)14(25-17)8-11-12(19)5-2-6-13(11)20/h1-8H |
| InChIK | KWTQCDSPVCGJIC-UHFFFAOYSA-N |
| TotalMolweight | 392.241 |
| Molweight | 392.241 |
| MonoisotopicMass | 390.974914 |
| CLogP | 4.6323 |
| CLogS | -6.805 |
| H Acceptors | 4 |
| TotalSurfaceArea | 263.14 |
| Relative PSA | 0.22551 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 2.9055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-6-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off