[2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] thiophene-2-carboxylate
Formula:C18H15NO4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C18H15NO4S3 |
| Smiles | CCOc(cc(/C=C(\C(N1C)=O)/SC1=S)cc1)c1OC(c1cccs1)=O |
| InChI | InChI=1S/C18H15NO4S3/c1-3-22-13-9-11(10-15-16(20)19(2)18(24)26-15)6-7-12(13)23-17(21)14-5-4-8-25-14/h4-10H,3H2,1-2H3/b15-10+ |
| InChIK | DUIKPBQEZBNRKN-XNTDXEJSSA-N |
| TotalMolweight | 405.518 |
| Molweight | 405.518 |
| MonoisotopicMass | 405.016319 |
| CLogP | 3.0305 |
| CLogS | -4.936 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.45 |
| Relative PSA | 0.39219 |
| PolarSurfaceArea | 141.47 |
| Druglikeness | 2.7905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] thiophene-2-carboxylate | 2 - [2-ethoxy-4-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] thiophene-2-carboxylate
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