(5Z)-5-benzylidene-3-[(naphthalen-1-ylamino)methyl]-1,3-thiazolidine-2,4-dione
Formula:C21H16N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-benzylidene-3-[(naphthalen-1-ylamino)methyl]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-[(naphthalen-1-ylamino)methyl]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C21H16N2O2S |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N(CNc2cccc3ccccc23)C1=O |
| InChI | InChI=1S/C21H16N2O2S/c24-20-19(13-15-7-2-1-3-8-15)26-21(25)23(20)14-22-18-12-6-10-16-9-4-5-11-17(16)18/h1-13,22H,14H2 |
| InChIK | BBJFFDMEARXRRT-UHFFFAOYSA-N |
| TotalMolweight | 360.436 |
| Molweight | 360.436 |
| MonoisotopicMass | 360.093248 |
| CLogP | 4.0981 |
| CLogS | -6.214 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.34 |
| Relative PSA | 0.21912 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 3.7871 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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