(2Z)-2-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C32H21N4O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C32H21N4O2FS |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(OCc(cc3)ccc3F)ccc2)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C32H21FN4O2S/c33-24-15-13-21(14-16-24)20-39-26-10-6-7-22(17-26)30-23(19-36(35-30)25-8-2-1-3-9-25)18-29-31(38)37-28-12-5-4-11-27(28)34-32(37)40-29/h1-19H,20H2 |
| InChIK | OWYHLJBSMXONQZ-UHFFFAOYSA-N |
| TotalMolweight | 544.609 |
| Molweight | 544.609 |
| MonoisotopicMass | 544.136924 |
| CLogP | 5.8741 |
| CLogS | -7.303 |
| H Acceptors | 6 |
| TotalSurfaceArea | 399.38 |
| Relative PSA | 0.19082 |
| PolarSurfaceArea | 87.24 |
| Druglikeness | 3.7164 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[3-[3-[(4-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off