(5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
Formula:C30H20N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | (5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C30H20N2O2Cl2S |
| Smiles | O=C(/C(/S1)=C\c2cn(Cc(ccc(Cl)c3)c3Cl)c3c2cccc3)N(Cc2cc3ccccc3cc2)C1=O |
| InChI | InChI=1S/C30H20Cl2N2O2S/c31-24-12-11-22(26(32)15-24)17-33-18-23(25-7-3-4-8-27(25)33)14-28-29(35)34(30(36)37-28)16-19-9-10-20-5-1-2-6-21(20)13-19/h1-15,18H,16-17H2 |
| InChIK | STYLDBMOEPJDTG-UHFFFAOYSA-N |
| TotalMolweight | 543.473 |
| Molweight | 543.473 |
| MonoisotopicMass | 542.062252 |
| CLogP | 7.0965 |
| CLogS | -8.166 |
| H Acceptors | 4 |
| TotalSurfaceArea | 384.04 |
| Relative PSA | 0.14058 |
| PolarSurfaceArea | 67.61 |
| Druglikeness | 4.6119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
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