| MolName | 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide |
| MolecularFormula | C28H22N3O4ClS |
| Smiles | O=C(c1cccc(S(Nc(cc2)ccc2Cl)(=O)=O)c1)N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C28H22ClN3O4S/c29-21-13-15-22(16-14-21)32-37(34,35)23-10-6-9-20(17-23)28(33)31-30-25-18-27(19-7-2-1-3-8-19)36-26-12-5-4-11-24(25)26/h1-17,27,32H,18H2,(H,31,33)/t27-/m1/s1 |
| InChIK | DITRLUBKNBYJPL-HHHXNRCGSA-N |
| TotalMolweight | 532.019 |
| Molweight | 532.019 |
| MonoisotopicMass | 531.101954 |
| CLogP | 5.7066 |
| CLogS | -7.378 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 382.94 |
| Relative PSA | 0.22471 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 2.9048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide | 2 - 3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide