(5Z)-3-benzyl-5-[(1-benzyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H22N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[(1-benzyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[(1-benzyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H22N2OS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc3c2N(Cc2ccccc2)CC3)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C26H22N2OS2/c29-25-24(31-26(30)28(25)18-20-9-5-2-6-10-20)16-21-11-12-23-22(15-21)13-14-27(23)17-19-7-3-1-4-8-19/h1-12,15-16H,13-14,17-18H2 |
| InChIK | RAISKLSKDJHNJR-UHFFFAOYSA-N |
| TotalMolweight | 442.606 |
| Molweight | 442.606 |
| MonoisotopicMass | 442.117353 |
| CLogP | 4.2671 |
| CLogS | -6.169 |
| H Acceptors | 3 |
| TotalSurfaceArea | 334.08 |
| Relative PSA | 0.19645 |
| PolarSurfaceArea | 80.94 |
| Druglikeness | 4.4491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (5Z)-3-benzyl-5-[(1-benzyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-benzyl-5-[(1-benzyl-2,3-dihydroindol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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