| MolName | N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C24H21N2O4Br |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccc(-c(cc2)ccc2Br)o1)N1CCOCC1 |
| InChI | InChI=1S/C24H21BrN2O4/c25-19-8-6-17(7-9-19)22-11-10-20(31-22)16-21(24(29)27-12-14-30-15-13-27)26-23(28)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,26,28) |
| InChIK | MOSHGNDZWMFIQR-UHFFFAOYSA-N |
| TotalMolweight | 481.345 |
| Molweight | 481.345 |
| MonoisotopicMass | 480.068469 |
| CLogP | 4.6147 |
| CLogS | -5.365 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 334.61 |
| Relative PSA | 0.19485 |
| PolarSurfaceArea | 71.78 |
| Druglikeness | 3.8354 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-[5-(4-bromophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide