(5Z)-2-(4-fluorophenyl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C24H14N5O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-2-(4-fluorophenyl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-2-(4-fluorophenyl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C24H14N5O2FS |
| Smiles | O=C1n2nc(-c(cc3)ccc3F)nc2S/C1=C\c1cn(-c2ccccc2)nc1-c1ccco1 |
| InChI | InChI=1S/C24H14FN5O2S/c25-17-10-8-15(9-11-17)22-26-24-30(28-22)23(31)20(33-24)13-16-14-29(18-5-2-1-3-6-18)27-21(16)19-7-4-12-32-19/h1-14H |
| InChIK | VFULGPWRJDBOPQ-UHFFFAOYSA-N |
| TotalMolweight | 455.472 |
| Molweight | 455.472 |
| MonoisotopicMass | 455.085223 |
| CLogP | 3.6009 |
| CLogS | -6.727 |
| H Acceptors | 7 |
| TotalSurfaceArea | 329.47 |
| Relative PSA | 0.27708 |
| PolarSurfaceArea | 104.04 |
| Druglikeness | 3.1422 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-2-(4-fluorophenyl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(4-fluorophenyl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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