N-[(5Z)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide
Formula:C18H10N2O4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5Z)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(5Z)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide |
| MolecularFormula | C18H10N2O4S3 |
| Smiles | O=C(c1cccs1)NN(C(/C(/S1)=C/C2=Cc(cccc3)c3OC2=O)=O)C1=S |
| InChI | InChI=1S/C18H10N2O4S3/c21-15(13-6-3-7-26-13)19-20-16(22)14(27-18(20)25)9-11-8-10-4-1-2-5-12(10)24-17(11)23/h1-9H,(H,19,21) |
| InChIK | PLBZFQQDZCCDIE-UHFFFAOYSA-N |
| TotalMolweight | 414.485 |
| Molweight | 414.485 |
| MonoisotopicMass | 413.980268 |
| CLogP | 1.1818 |
| CLogS | -4.976 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.59 |
| Relative PSA | 0.45354 |
| PolarSurfaceArea | 161.34 |
| Druglikeness | 4.7787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(5Z)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide | 2 - N-[(5Z)-4-oxo-5-[(2-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-carboxamide
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