(5Z)-3-cyclohexyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H23NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclohexyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H23NO2S2 |
| Smiles | O=C(/C(/S1)=C/c2cc(OCc3ccccc3)ccc2)N(C2CCCCC2)C1=S |
| InChI | InChI=1S/C23H23NO2S2/c25-22-21(28-23(27)24(22)19-11-5-2-6-12-19)15-18-10-7-13-20(14-18)26-16-17-8-3-1-4-9-17/h1,3-4,7-10,13-15,19H,2,5-6,11-12,16H2 |
| InChIK | ZKOAYNQAVSYRPU-UHFFFAOYSA-N |
| TotalMolweight | 409.573 |
| Molweight | 409.573 |
| MonoisotopicMass | 409.117019 |
| CLogP | 4.3009 |
| CLogS | -6.053 |
| H Acceptors | 3 |
| TotalSurfaceArea | 314.04 |
| Relative PSA | 0.22952 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | -2.2444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-cyclohexyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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