(5E)-5-[(6-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H17N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(6-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(6-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H17N3O3S2 |
| Smiles | COc(cc1cc2/C=C(\C(N3)=O)/SC3=S)ccc1nc2N1CCOCC1 |
| InChI | InChI=1S/C18H17N3O3S2/c1-23-13-2-3-14-11(9-13)8-12(10-15-17(22)20-18(25)26-15)16(19-14)21-4-6-24-7-5-21/h2-3,8-10H,4-7H2,1H3,(H,20,22,25)/b15-10+ |
| InChIK | LVUNDXARLRLVSQ-XNTDXEJSSA-N |
| TotalMolweight | 387.483 |
| Molweight | 387.483 |
| MonoisotopicMass | 387.071132 |
| CLogP | 1.4106 |
| CLogS | -4.852 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.34 |
| Relative PSA | 0.37147 |
| PolarSurfaceArea | 121.08 |
| Druglikeness | 3.5345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[(6-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(6-methoxy-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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