(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(furan-2-yl)prop-2-enamide
Formula:C22H14NO4Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C22H14NO4Br |
| Smiles | O=C(/C=C/c1ccco1)Nc1c(C(c(cc2)ccc2Br)=O)oc2c1cccc2 |
| InChI | InChI=1S/C22H14BrNO4/c23-15-9-7-14(8-10-15)21(26)22-20(17-5-1-2-6-18(17)28-22)24-19(25)12-11-16-4-3-13-27-16/h1-13H,(H,24,25) |
| InChIK | WSWRGTPRRPFQPX-UHFFFAOYSA-N |
| TotalMolweight | 436.26 |
| Molweight | 436.26 |
| MonoisotopicMass | 435.01062 |
| CLogP | 4.6858 |
| CLogS | -7.297 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.85 |
| Relative PSA | 0.22004 |
| PolarSurfaceArea | 72.45 |
| Druglikeness | -0.65984 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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