(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide
Formula:C24H16NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3-phenylprop-2-enamide |
| MolecularFormula | C24H16NO3Br |
| Smiles | O=C(/C=C/c1ccccc1)Nc1c(C(c(cc2)ccc2Br)=O)oc2c1cccc2 |
| InChI | InChI=1S/C24H16BrNO3/c25-18-13-11-17(12-14-18)23(28)24-22(19-8-4-5-9-20(19)29-24)26-21(27)15-10-16-6-2-1-3-7-16/h1-15H,(H,26,27) |
| InChIK | QKWCKYDHQJTBOX-UHFFFAOYSA-N |
| TotalMolweight | 446.299 |
| Molweight | 446.299 |
| MonoisotopicMass | 445.031355 |
| CLogP | 5.4971 |
| CLogS | -7.615 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.16 |
| Relative PSA | 0.16707 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | -0.64454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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