2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:C25H20N3O3F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | 2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C25H20N3O3F3S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2C3CCCC3)=O)/SC2=S)C1=O)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C25H20F3N3O3S2/c26-25(27,28)14-6-5-7-15(12-14)29-19(32)13-30-18-11-4-3-10-17(18)20(22(30)33)21-23(34)31(24(35)36-21)16-8-1-2-9-16/h3-7,10-12,16H,1-2,8-9,13H2,(H,29,32) |
| InChIK | VAMYUWLJWQDIGX-UHFFFAOYSA-N |
| TotalMolweight | 531.578 |
| Molweight | 531.578 |
| MonoisotopicMass | 531.089816 |
| CLogP | 3.0089 |
| CLogS | -6.087 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 361.71 |
| Relative PSA | 0.28523 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | -4.3785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide | 2 - 2-[(3Z)-3-(3-cyclopentyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
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