(5Z)-3-(furan-2-ylmethyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H19NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(furan-2-ylmethyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(furan-2-ylmethyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19NO4S2 |
| Smiles | COc(cc(/C=C(/C(N1Cc2ccco2)=O)\SC1=S)cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C23H19NO4S2/c1-26-20-12-17(9-10-19(20)28-15-16-6-3-2-4-7-16)13-21-22(25)24(23(29)30-21)14-18-8-5-11-27-18/h2-13H,14-15H2,1H3/b21-13- |
| InChIK | QZQYWZPUIANKTH-BKUYFWCQSA-N |
| TotalMolweight | 437.539 |
| Molweight | 437.539 |
| MonoisotopicMass | 437.075549 |
| CLogP | 3.282 |
| CLogS | -5.502 |
| H Acceptors | 5 |
| TotalSurfaceArea | 331.71 |
| Relative PSA | 0.28998 |
| PolarSurfaceArea | 109.3 |
| Druglikeness | 3.7069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-(furan-2-ylmethyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(furan-2-ylmethyl)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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