(5Z)-3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C23H15NO3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C23H15NO3S |
| Smiles | C#CCOc1c(/C=C(/C(N2c3ccccc3)=O)\SC2=O)c2ccccc2cc1 |
| InChI | InChI=1S/C23H15NO3S/c1-2-14-27-20-13-12-16-8-6-7-11-18(16)19(20)15-21-22(25)24(23(26)28-21)17-9-4-3-5-10-17/h1,3-13,15H,14H2 |
| InChIK | DXXRDKFMJJAZGZ-UHFFFAOYSA-N |
| TotalMolweight | 385.442 |
| Molweight | 385.442 |
| MonoisotopicMass | 385.077264 |
| CLogP | 4.3891 |
| CLogS | -6.88 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.69 |
| Relative PSA | 0.19718 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 3.0265 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-phenyl-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
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