| MolName | N-[4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide |
| MolecularFormula | C25H19N4O3ClS |
| Smiles | O=C(c1ccccc1)Nc(cc1)ccc1S(Nc1nccc(/C=C/c(cc2)ccc2Cl)n1)(=O)=O |
| InChI | InChI=1S/C25H19ClN4O3S/c26-20-9-6-18(7-10-20)8-11-22-16-17-27-25(29-22)30-34(32,33)23-14-12-21(13-15-23)28-24(31)19-4-2-1-3-5-19/h1-17H,(H,28,31)(H,27,29,30) |
| InChIK | DIDFAXPJFUWZLH-UHFFFAOYSA-N |
| TotalMolweight | 490.97 |
| Molweight | 490.97 |
| MonoisotopicMass | 490.086638 |
| CLogP | 4.7795 |
| CLogS | -6.624 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 361.23 |
| Relative PSA | 0.2394 |
| PolarSurfaceArea | 109.43 |
| Druglikeness | 5.2685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide | 2 - N-[4-[[4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide