| MolName | N-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide |
| MolecularFormula | C24H20N2O2Cl2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c(ccc(Cl)c1)c1Cl)NCCc1ccccc1 |
| InChI | InChI=1S/C24H20Cl2N2O2/c25-20-12-11-19(21(26)16-20)15-22(28-23(29)18-9-5-2-6-10-18)24(30)27-14-13-17-7-3-1-4-8-17/h1-12,15-16H,13-14H2,(H,27,30)(H,28,29) |
| InChIK | PKMMAATXOOEUIU-UHFFFAOYSA-N |
| TotalMolweight | 439.341 |
| Molweight | 439.341 |
| MonoisotopicMass | 438.090182 |
| CLogP | 5.7753 |
| CLogS | -6.273 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 334.27 |
| Relative PSA | 0.14659 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | 3.5541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(E)-1-(2,4-dichlorophenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide