| MolName | 4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C23H22N2O5S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c(cc2)ccc2N2CCOCC2)=O)o1)(=O)=O |
| InChI | InChI=1S/C23H22N2O5S/c24-31(27,28)21-9-3-18(4-10-21)23-12-8-20(30-23)7-11-22(26)17-1-5-19(6-2-17)25-13-15-29-16-14-25/h1-12H,13-16H2,(H2,24,27,28) |
| InChIK | CSFZHAMBZRTEGA-UHFFFAOYSA-N |
| TotalMolweight | 438.503 |
| Molweight | 438.503 |
| MonoisotopicMass | 438.124943 |
| CLogP | 2.6757 |
| CLogS | -5.302 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 325.66 |
| Relative PSA | 0.25963 |
| PolarSurfaceArea | 111.22 |
| Druglikeness | 5.3423 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide