cyclohexyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Formula:C22H27NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
cyclohexyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate is a drug-like molecule.
| MolName | cyclohexyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate |
| MolecularFormula | C22H27NO3S2 |
| Smiles | O=C(CCCCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=S)OC1CCCCC1 |
| InChI | InChI=1S/C22H27NO3S2/c24-20(26-18-12-6-2-7-13-18)14-8-3-9-15-23-21(25)19(28-22(23)27)16-17-10-4-1-5-11-17/h1,4-5,10-11,16,18H,2-3,6-9,12-15H2 |
| InChIK | JXIWQNOFBUNKNB-UHFFFAOYSA-N |
| TotalMolweight | 417.592 |
| Molweight | 417.592 |
| MonoisotopicMass | 417.143234 |
| CLogP | 4.3283 |
| CLogS | -5.695 |
| H Acceptors | 4 |
| TotalSurfaceArea | 327.07 |
| Relative PSA | 0.26025 |
| PolarSurfaceArea | 104 |
| Druglikeness | -7.7965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - cyclohexyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate | 2 - cyclohexyl 6-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
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