| MolName | 2-(4-chlorophenyl)-N-[4-[[4-[(E)-2-(2-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide |
| MolecularFormula | C26H20N4O3Cl2S |
| Smiles | O=C(Cc(cc1)ccc1Cl)Nc(cc1)ccc1S(Nc1nccc(/C=C/c(cccc2)c2Cl)n1)(=O)=O |
| InChI | InChI=1S/C26H20Cl2N4O3S/c27-20-8-5-18(6-9-20)17-25(33)30-21-11-13-23(14-12-21)36(34,35)32-26-29-16-15-22(31-26)10-7-19-3-1-2-4-24(19)28/h1-16H,17H2,(H,30,33)(H,29,31,32) |
| InChIK | NBIRYXCSFQUMCT-UHFFFAOYSA-N |
| TotalMolweight | 539.442 |
| Molweight | 539.442 |
| MonoisotopicMass | 538.063315 |
| CLogP | 5.3836 |
| CLogS | -7.325 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 390.41 |
| Relative PSA | 0.22151 |
| PolarSurfaceArea | 109.43 |
| Druglikeness | 6.1809 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-N-[4-[[4-[(E)-2-(2-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide | 2 - 2-(4-chlorophenyl)-N-[4-[[4-[(E)-2-(2-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]acetamide