| MolName | 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C23H17N4O4F3S2 |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2NS(c2ccccc2)(=O)=O)o1)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H17F3N4O4S2/c24-23(25,26)16-5-4-6-18(13-16)27-20(31)14-35-22-29-28-21(34-22)15-9-11-17(12-10-15)30-36(32,33)19-7-2-1-3-8-19/h1-13,30H,14H2,(H,27,31) |
| InChIK | NPOQVSTWDXBRNV-UHFFFAOYSA-N |
| TotalMolweight | 534.538 |
| Molweight | 534.538 |
| MonoisotopicMass | 534.06433 |
| CLogP | 4.2345 |
| CLogS | -7.279 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 369.71 |
| Relative PSA | 0.31939 |
| PolarSurfaceArea | 147.87 |
| Druglikeness | -10.673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide | 2 - 2-[[5-[4-(benzenesulfonamido)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide