(5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H12N2OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H12N2OCl2S2 |
| Smiles | O=C(/C(/S1)=C/c2cn(Cc(c(Cl)ccc3)c3Cl)c3c2cccc3)NC1=S |
| InChI | InChI=1S/C19H12Cl2N2OS2/c20-14-5-3-6-15(21)13(14)10-23-9-11(12-4-1-2-7-16(12)23)8-17-18(24)22-19(25)26-17/h1-9H,10H2,(H,22,24,25) |
| InChIK | ROHIPGIFRVDPOP-UHFFFAOYSA-N |
| TotalMolweight | 419.355 |
| Molweight | 419.355 |
| MonoisotopicMass | 417.976807 |
| CLogP | 3.8859 |
| CLogS | -5.95 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.04 |
| Relative PSA | 0.26318 |
| PolarSurfaceArea | 91.42 |
| Druglikeness | 4.2121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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