| MolName | (E)-3-(4-bromophenyl)-N-[2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide |
| MolecularFormula | C24H18N2O2Br2 |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cccc1)c1NC(/C=C/c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C24H18Br2N2O2/c25-19-11-5-17(6-12-19)9-15-23(29)27-21-3-1-2-4-22(21)28-24(30)16-10-18-7-13-20(26)14-8-18/h1-16H,(H,27,29)(H,28,30) |
| InChIK | SZPSVHDRNYVMCM-UHFFFAOYSA-N |
| TotalMolweight | 526.227 |
| Molweight | 526.227 |
| MonoisotopicMass | 523.9735 |
| CLogP | 6.0634 |
| CLogS | -7.048 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 341.46 |
| Relative PSA | 0.1435 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -2.2289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 17 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(4-bromophenyl)-N-[2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide | 2 - (E)-3-(4-bromophenyl)-N-[2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide