(5E)-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H11N2O4Br2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H11N2O4Br2F3S2 |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1Oc(c(Br)cc(/C=C(\C(N1c2ccccc2)=O)/SC1=S)c1)c1Br)=O |
| InChI | InChI=1S/C23H11Br2F3N2O4S2/c24-15-8-12(10-19-21(31)29(22(35)36-19)14-4-2-1-3-5-14)9-16(25)20(15)34-18-7-6-13(23(26,27)28)11-17(18)30(32)33/h1-11H |
| InChIK | XRBGWROUNIYSIL-UHFFFAOYSA-N |
| TotalMolweight | 660.284 |
| Molweight | 660.284 |
| MonoisotopicMass | 657.847904 |
| CLogP | 5.665 |
| CLogS | -10.186 |
| H Acceptors | 6 |
| TotalSurfaceArea | 382.63 |
| Relative PSA | 0.26788 |
| PolarSurfaceArea | 132.75 |
| Druglikeness | -11.263 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5E)-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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