3-naphthalen-1-yl-5-[4-[(E)-2-phenylethenyl]anilino]-1,3-thiazolidine-2,4-dione
Formula:C27H20N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-naphthalen-1-yl-5-[4-[(E)-2-phenylethenyl]anilino]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.
| MolName | 3-naphthalen-1-yl-5-[4-[(E)-2-phenylethenyl]anilino]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C27H20N2O2S |
| Smiles | O=C(C(Nc1ccc(/C=C/c2ccccc2)cc1)SC1=O)N1c1cccc2ccccc12 |
| InChI | InChI=1S/C27H20N2O2S/c30-26-25(28-22-17-15-20(16-18-22)14-13-19-7-2-1-3-8-19)32-27(31)29(26)24-12-6-10-21-9-4-5-11-23(21)24/h1-18,25,28H/t25-/m0/s1 |
| InChIK | KDSGDBLWGNIUEZ-VWLOTQADSA-N |
| TotalMolweight | 436.534 |
| Molweight | 436.534 |
| MonoisotopicMass | 436.124548 |
| CLogP | 6.475 |
| CLogS | -7.674 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 327.63 |
| Relative PSA | 0.1788 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 3.6494 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - 3-naphthalen-1-yl-5-[4-[(E)-2-phenylethenyl]anilino]-1,3-thiazolidine-2,4-dione | 2 - 3-naphthalen-1-yl-5-[4-[(E)-2-phenylethenyl]anilino]-1,3-thiazolidine-2,4-dione
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