| MolName | (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(2-chlorophenyl)prop-2-enamide |
| MolecularFormula | C24H15NO3BrCl |
| Smiles | O=C(/C=C/c(cccc1)c1Cl)Nc1c(C(c(cc2)ccc2Br)=O)oc2c1cccc2 |
| InChI | InChI=1S/C24H15BrClNO3/c25-17-12-9-16(10-13-17)23(29)24-22(18-6-2-4-8-20(18)30-24)27-21(28)14-11-15-5-1-3-7-19(15)26/h1-14H,(H,27,28) |
| InChIK | WPZHZFBSOJBGLE-UHFFFAOYSA-N |
| TotalMolweight | 480.744 |
| Molweight | 480.744 |
| MonoisotopicMass | 478.992382 |
| CLogP | 6.1031 |
| CLogS | -8.351 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 324.58 |
| Relative PSA | 0.15913 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | -0.57277 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(2-chlorophenyl)prop-2-enamide | 2 - (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(2-chlorophenyl)prop-2-enamide