| MolName | (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide |
| MolecularFormula | C24H24N2O2Cl4 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)NCCCCCCNC(/C=C/c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C24H24Cl4N2O2/c25-19-9-5-17(21(27)15-19)7-11-23(31)29-13-3-1-2-4-14-30-24(32)12-8-18-6-10-20(26)16-22(18)28/h5-12,15-16H,1-4,13-14H2,(H,29,31)(H,30,32) |
| InChIK | GMZCCMCJDZTEFU-UHFFFAOYSA-N |
| TotalMolweight | 514.279 |
| Molweight | 514.279 |
| MonoisotopicMass | 512.059186 |
| CLogP | 6.9322 |
| CLogS | -7.622 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 388.68 |
| Relative PSA | 0.12607 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -6.1481 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 16 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide | 2 - (E)-3-(2,4-dichlorophenyl)-N-[6-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]hexyl]prop-2-enamide