[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate
Formula:C24H17NO6S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate is not a drug-like molecule.
| MolName | [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate |
| MolecularFormula | C24H17NO6S3 |
| Smiles | O=C(/C(/SC1=S)=C\c(cc2)ccc2OS(c(cc2)cc3c2OCCO3)(=O)=O)N1c1ccccc1 |
| InChI | InChI=1S/C24H17NO6S3/c26-23-22(33-24(32)25(23)17-4-2-1-3-5-17)14-16-6-8-18(9-7-16)31-34(27,28)19-10-11-20-21(15-19)30-13-12-29-20/h1-11,14-15H,12-13H2 |
| InChIK | WQBSUZQMLRZXLY-UHFFFAOYSA-N |
| TotalMolweight | 511.598 |
| Molweight | 511.598 |
| MonoisotopicMass | 511.021799 |
| CLogP | 3.75 |
| CLogS | -5.939 |
| H Acceptors | 7 |
| TotalSurfaceArea | 354.84 |
| Relative PSA | 0.34004 |
| PolarSurfaceArea | 147.91 |
| Druglikeness | -3.8326 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate | 2 - [4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate
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