| MolName | 4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide |
| MolecularFormula | C23H17N3O5S |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\C1=COc(cccc2)c2C1=O |
| InChI | InChI=1S/C23H17N3O5S/c27-22-17(15-31-21-9-5-4-8-20(21)22)14-24-25-23(28)16-10-12-18(13-11-16)26-32(29,30)19-6-2-1-3-7-19/h1-15,26H,(H,25,28) |
| InChIK | PURPUOLWAFSRSX-UHFFFAOYSA-N |
| TotalMolweight | 447.47 |
| Molweight | 447.47 |
| MonoisotopicMass | 447.088892 |
| CLogP | 2.6181 |
| CLogS | -5.604 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 325.75 |
| Relative PSA | 0.30419 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 0.058163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide | 2 - 4-(benzenesulfonamido)-N-[(Z)-(4-oxochromen-3-yl)methylideneamino]benzamide