2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Formula:C28H22N3O3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | 2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C28H22N3O3ClS2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2Cc(cccc3)c3Cl)=O)/SC2=S)C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C28H22ClN3O3S2/c29-21-12-6-4-10-19(21)16-32-27(35)25(37-28(32)36)24-20-11-5-7-13-22(20)31(26(24)34)17-23(33)30-15-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,30,33) |
| InChIK | MNKDJEMOWXNYCC-UHFFFAOYSA-N |
| TotalMolweight | 548.086 |
| Molweight | 548.086 |
| MonoisotopicMass | 547.079109 |
| CLogP | 3.1105 |
| CLogS | -5.992 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 394.67 |
| Relative PSA | 0.26141 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 5.5628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide | 2 - 2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
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