(5Z)-3-benzyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C27H22N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C27H22N2O2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(CCOc3ccccc3)c3c2cccc3)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C27H22N2O2S2/c30-26-25(33-27(32)29(26)18-20-9-3-1-4-10-20)17-21-19-28(24-14-8-7-13-23(21)24)15-16-31-22-11-5-2-6-12-22/h1-14,17,19H,15-16,18H2 |
| InChIK | APERSHCTPRYZOS-UHFFFAOYSA-N |
| TotalMolweight | 470.616 |
| Molweight | 470.616 |
| MonoisotopicMass | 470.112268 |
| CLogP | 4.2621 |
| CLogS | -5.604 |
| H Acceptors | 4 |
| TotalSurfaceArea | 357.32 |
| Relative PSA | 0.22095 |
| PolarSurfaceArea | 91.86 |
| Druglikeness | 4.4755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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