| MolName | N-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide |
| MolecularFormula | C17H16N3O2FS2 |
| Smiles | Cc1c(C)sc(N=C(N2C)SCC(Nc(cccc3)c3F)=O)c1C2=O |
| InChI | InChI=1S/C17H16FN3O2S2/c1-9-10(2)25-15-14(9)16(23)21(3)17(20-15)24-8-13(22)19-12-7-5-4-6-11(12)18/h4-7H,8H2,1-3H3,(H,19,22) |
| InChIK | LFKASQGFFGBUSG-UHFFFAOYSA-N |
| TotalMolweight | 377.463 |
| Molweight | 377.463 |
| MonoisotopicMass | 377.066795 |
| CLogP | 3.1656 |
| CLogS | -4.849 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 270.07 |
| Relative PSA | 0.33491 |
| PolarSurfaceArea | 115.31 |
| Druglikeness | 2.0538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 2 |
| StereoCon |
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1 - N-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide | 2 - N-(2-fluorophenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide