benzyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Formula:C23H23NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is a drug-like molecule.
| MolName | benzyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate |
| MolecularFormula | C23H23NO3S2 |
| Smiles | O=C(CCCCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)OCc1ccccc1 |
| InChI | InChI=1S/C23H23NO3S2/c25-21(27-17-19-12-6-2-7-13-19)14-8-3-9-15-24-22(26)20(29-23(24)28)16-18-10-4-1-5-11-18/h1-2,4-7,10-13,16H,3,8-9,14-15,17H2 |
| InChIK | ACDPOKNGWQUGJC-UHFFFAOYSA-N |
| TotalMolweight | 425.572 |
| Molweight | 425.572 |
| MonoisotopicMass | 425.111934 |
| CLogP | 4.1907 |
| CLogS | -5.444 |
| H Acceptors | 4 |
| TotalSurfaceArea | 332.79 |
| Relative PSA | 0.25578 |
| PolarSurfaceArea | 104 |
| Druglikeness | -8.2686 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - benzyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate | 2 - benzyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
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