| MolName | 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide |
| MolecularFormula | C28H21N3O4Cl2S |
| Smiles | O=C(c(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1Cl)N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1 |
| InChI | InChI=1S/C28H21Cl2N3O4S/c29-20-11-13-21(14-12-20)33-38(35,36)27-16-19(10-15-23(27)30)28(34)32-31-24-17-26(18-6-2-1-3-7-18)37-25-9-5-4-8-22(24)25/h1-16,26,33H,17H2,(H,32,34)/t26-/m1/s1 |
| InChIK | QVKPRSJCSTVDLI-AREMUKBSSA-N |
| TotalMolweight | 566.464 |
| Molweight | 566.464 |
| MonoisotopicMass | 565.062981 |
| CLogP | 6.3126 |
| CLogS | -8.114 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 398.36 |
| Relative PSA | 0.21601 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 7.6337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 |
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1 - 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide | 2 - 4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzamide