(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C25H16N2O2ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H16N2O2ClFS2 |
| Smiles | O=C1N(Cc(cccc2)c2Cl)c(cccc2)c2/C1=C(\C(N1Cc(cc2)ccc2F)=O)/SC1=S |
| InChI | InChI=1S/C25H16ClFN2O2S2/c26-19-7-3-1-5-16(19)14-28-20-8-4-2-6-18(20)21(23(28)30)22-24(31)29(25(32)33-22)13-15-9-11-17(27)12-10-15/h1-12H,13-14H2 |
| InChIK | VAALCUQACWCFMO-UHFFFAOYSA-N |
| TotalMolweight | 494.997 |
| Molweight | 494.997 |
| MonoisotopicMass | 494.032573 |
| CLogP | 3.6975 |
| CLogS | -6.427 |
| H Acceptors | 4 |
| TotalSurfaceArea | 344.29 |
| Relative PSA | 0.2285 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 3.219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
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