N-(3-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Formula:C26H17N3O3ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(3-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide |
| MolecularFormula | C26H17N3O3ClFS2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2Cc(cc3)ccc3F)=O)/SC2=S)C1=O)Nc1cccc(Cl)c1 |
| InChI | InChI=1S/C26H17ClFN3O3S2/c27-16-4-3-5-18(12-16)29-21(32)14-30-20-7-2-1-6-19(20)22(24(30)33)23-25(34)31(26(35)36-23)13-15-8-10-17(28)11-9-15/h1-12H,13-14H2,(H,29,32) |
| InChIK | RZFUXYQUBWYDKC-UHFFFAOYSA-N |
| TotalMolweight | 538.022 |
| Molweight | 538.022 |
| MonoisotopicMass | 537.038387 |
| CLogP | 3.0718 |
| CLogS | -6.378 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 373.5 |
| Relative PSA | 0.27622 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 4.0011 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide | 2 - N-(3-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
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