(5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H16N3O3FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H16N3O3FS2 |
| Smiles | [O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2cn(Cc(cc3)ccc3F)c3c2cccc3)=O)C1=S)=O |
| InChI | InChI=1S/C25H16FN3O3S2/c26-18-7-5-16(6-8-18)14-27-15-17(21-3-1-2-4-22(21)27)13-23-24(30)28(25(33)34-23)19-9-11-20(12-10-19)29(31)32/h1-13,15H,14H2 |
| InChIK | HTDXTACXDMUOEZ-UHFFFAOYSA-N |
| TotalMolweight | 489.55 |
| Molweight | 489.55 |
| MonoisotopicMass | 489.06171 |
| CLogP | 3.6012 |
| CLogS | -6.735 |
| H Acceptors | 6 |
| TotalSurfaceArea | 349.82 |
| Relative PSA | 0.28406 |
| PolarSurfaceArea | 128.45 |
| Druglikeness | -2.4705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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