| MolName | 4-[5-[(E)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C24H16NO5F3S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c2ccc(-c3cc(C(F)(F)F)ccc3)o2)=O)o1)(=O)=O |
| InChI | InChI=1S/C24H16F3NO5S/c25-24(26,27)17-3-1-2-16(14-17)22-12-13-23(33-22)20(29)10-6-18-7-11-21(32-18)15-4-8-19(9-5-15)34(28,30)31/h1-14H,(H2,28,30,31) |
| InChIK | VRUIUKYULFOTHD-UHFFFAOYSA-N |
| TotalMolweight | 487.453 |
| Molweight | 487.453 |
| MonoisotopicMass | 487.070128 |
| CLogP | 4.7939 |
| CLogS | -7.437 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 342.73 |
| Relative PSA | 0.24833 |
| PolarSurfaceArea | 111.89 |
| Druglikeness | -2.7943 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(E)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-enyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-3-oxo-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-1-enyl]furan-2-yl]benzenesulfonamide