(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H27NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H27NO2S2 |
| Smiles | CC(C)(C)c1cc(/C=C(/C(N2c3ccccc3)=O)\SC2=S)cc(C(C)(C)C)c1O |
| InChI | InChI=1S/C24H27NO2S2/c1-23(2,3)17-12-15(13-18(20(17)26)24(4,5)6)14-19-21(27)25(22(28)29-19)16-10-8-7-9-11-16/h7-14,26H,1-6H3 |
| InChIK | XKDDZTSAIRCYIY-UHFFFAOYSA-N |
| TotalMolweight | 425.615 |
| Molweight | 425.615 |
| MonoisotopicMass | 425.148319 |
| CLogP | 5.7104 |
| CLogS | -7.007 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 323.21 |
| Relative PSA | 0.2326 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | -0.30247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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