(4Z)-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
Formula:C22H12N2O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C22H12N2O2ClF3S |
| Smiles | O=C1OC(c2cccnc2Sc(cc2)ccc2Cl)=N/C1=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C22H12ClF3N2O2S/c23-15-7-9-16(10-8-15)31-20-17(2-1-11-27-20)19-28-18(21(29)30-19)12-13-3-5-14(6-4-13)22(24,25)26/h1-12H |
| InChIK | ZBQTYUNQXDAROM-UHFFFAOYSA-N |
| TotalMolweight | 460.862 |
| Molweight | 460.862 |
| MonoisotopicMass | 460.026009 |
| CLogP | 4.9637 |
| CLogS | -6.187 |
| H Acceptors | 4 |
| TotalSurfaceArea | 315.84 |
| Relative PSA | 0.1995 |
| PolarSurfaceArea | 76.85 |
| Druglikeness | -5.8268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4Z)-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one | 2 - (4Z)-2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
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