2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Formula:C28H23N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-(3-benzyl-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-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C28H23N3O3S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2Cc3ccccc3)=O)/SC2=S)C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C28H23N3O3S2/c32-23(29-16-15-19-9-3-1-4-10-19)18-30-22-14-8-7-13-21(22)24(26(30)33)25-27(34)31(28(35)36-25)17-20-11-5-2-6-12-20/h1-14H,15-18H2,(H,29,32) |
| InChIK | ZPZYOMWANSKFEG-UHFFFAOYSA-N |
| TotalMolweight | 513.641 |
| Molweight | 513.641 |
| MonoisotopicMass | 513.118082 |
| CLogP | 2.5045 |
| CLogS | -5.256 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.25 |
| Relative PSA | 0.27204 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 5.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide | 2 - 2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
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