| MolName | (E)-3-(2,6-dichlorophenyl)-N-[[3-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide |
| MolecularFormula | C26H20N2O2Cl4 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)NCc1cccc(CNC(/C=C/c(c(Cl)ccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C26H20Cl4N2O2/c27-21-6-2-7-22(28)19(21)10-12-25(33)31-15-17-4-1-5-18(14-17)16-32-26(34)13-11-20-23(29)8-3-9-24(20)30/h1-14H,15-16H2,(H,31,33)(H,32,34) |
| InChIK | NPBNIXZRXMEWFR-UHFFFAOYSA-N |
| TotalMolweight | 534.269 |
| Molweight | 534.269 |
| MonoisotopicMass | 532.027886 |
| CLogP | 6.4558 |
| CLogS | -7.956 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 393.4 |
| Relative PSA | 0.12456 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 0.16321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2,6-dichlorophenyl)-N-[[3-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide | 2 - (E)-3-(2,6-dichlorophenyl)-N-[[3-[[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]prop-2-enamide