(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H14N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H14N2OS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc3ccccc3)c3c2cccc3)NC1=S |
| InChI | InChI=1S/C19H14N2OS2/c22-18-17(24-19(23)20-18)10-14-12-21(11-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-10,12H,11H2,(H,20,22,23) |
| InChIK | HOQNWQZTSXGGNW-UHFFFAOYSA-N |
| TotalMolweight | 350.465 |
| Molweight | 350.465 |
| MonoisotopicMass | 350.054753 |
| CLogP | 2.6739 |
| CLogS | -4.478 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.2 |
| Relative PSA | 0.29426 |
| PolarSurfaceArea | 91.42 |
| Druglikeness | 4.1634 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(1-benzylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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