(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H19N2O2ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H19N2O2ClS2 |
| Smiles | O=C1N(Cc(cc2)ccc2Cl)c(cccc2)c2/C1=C(\C(N1CCc2ccccc2)=O)/SC1=S |
| InChI | InChI=1S/C26H19ClN2O2S2/c27-19-12-10-18(11-13-19)16-29-21-9-5-4-8-20(21)22(24(29)30)23-25(31)28(26(32)33-23)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2 |
| InChIK | XULCBZHRNDYCJX-UHFFFAOYSA-N |
| TotalMolweight | 491.034 |
| Molweight | 491.034 |
| MonoisotopicMass | 490.057645 |
| CLogP | 4.0268 |
| CLogS | -6.225 |
| H Acceptors | 4 |
| TotalSurfaceArea | 351.7 |
| Relative PSA | 0.22368 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 4.745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[1-[(4-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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