(5Z)-3-[(4-nitrophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C18H11N2O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-nitrophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-nitrophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C18H11N2O4F3S |
| Smiles | [O-][N+](c1ccc(CN(C(/C(/S2)=C/c3ccc(C(F)(F)F)cc3)=O)C2=O)cc1)=O |
| InChI | InChI=1S/C18H11F3N2O4S/c19-18(20,21)13-5-1-11(2-6-13)9-15-16(24)22(17(25)28-15)10-12-3-7-14(8-4-12)23(26)27/h1-9H,10H2 |
| InChIK | DHWMYDKSVLCPPI-UHFFFAOYSA-N |
| TotalMolweight | 408.355 |
| Molweight | 408.355 |
| MonoisotopicMass | 408.039162 |
| CLogP | 3.0871 |
| CLogS | -5.348 |
| H Acceptors | 6 |
| TotalSurfaceArea | 274.41 |
| Relative PSA | 0.28257 |
| PolarSurfaceArea | 108.5 |
| Druglikeness | -7.8812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-nitrophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-nitrophenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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