(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
Formula:C22H15N2O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C22H15N2O2F3S |
| Smiles | O=C(/C(/S1)=C/c2cc(C(F)(F)F)ccc2)N(Cc2ccco2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-7-4-6-15(12-16)13-19-20(28)27(14-18-10-5-11-29-18)21(30-19)26-17-8-2-1-3-9-17/h1-13H,14H2 |
| InChIK | BUQUYMMABQGASJ-UHFFFAOYSA-N |
| TotalMolweight | 428.433 |
| Molweight | 428.433 |
| MonoisotopicMass | 428.080632 |
| CLogP | 4.6379 |
| CLogS | -5.788 |
| H Acceptors | 4 |
| TotalSurfaceArea | 305.41 |
| Relative PSA | 0.19547 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | -2.9937 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
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