N-benzyl-2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Formula:C25H19N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide |
| MolecularFormula | C25H19N3O4S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2Cc3ccco3)=O)/SC2=S)C1=O)NCc1ccccc1 |
| InChI | InChI=1S/C25H19N3O4S2/c29-20(26-13-16-7-2-1-3-8-16)15-27-19-11-5-4-10-18(19)21(23(27)30)22-24(31)28(25(33)34-22)14-17-9-6-12-32-17/h1-12H,13-15H2,(H,26,29) |
| InChIK | WRFKFYBPRZDHDS-UHFFFAOYSA-N |
| TotalMolweight | 489.575 |
| Molweight | 489.575 |
| MonoisotopicMass | 489.081697 |
| CLogP | 1.2631 |
| CLogS | -4.826 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 355.18 |
| Relative PSA | 0.3302 |
| PolarSurfaceArea | 140.25 |
| Druglikeness | 5.4178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-benzyl-2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide | 2 - N-benzyl-2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
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