(Z)-N-morpholin-4-yl-7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-imine
Formula:C11H14N2O3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-N-morpholin-4-yl-7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-imine is a drug-like molecule.
| MolName | (Z)-N-morpholin-4-yl-7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-imine |
| MolecularFormula | C11H14N2O3S2 |
| Smiles | O=S(CC1)(c(scc2)c2/C1=N\N1CCOCC1)=O |
| InChI | InChI=1S/C11H14N2O3S2/c14-18(15)8-2-10(9-1-7-17-11(9)18)12-13-3-5-16-6-4-13/h1,7H,2-6,8H2 |
| InChIK | ZKGRMRFDRKIYAR-UHFFFAOYSA-N |
| TotalMolweight | 286.375 |
| Molweight | 286.375 |
| MonoisotopicMass | 286.044583 |
| CLogP | 0.3522 |
| CLogS | -2.573 |
| H Acceptors | 5 |
| TotalSurfaceArea | 196.61 |
| Relative PSA | 0.37638 |
| PolarSurfaceArea | 95.59 |
| Druglikeness | -0.33164 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - (Z)-N-morpholin-4-yl-7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-imine | 2 - (Z)-N-morpholin-4-yl-7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-imine
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