| MolName | N-[(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide |
| MolecularFormula | C25H23N2O4F |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccc(-c(cc2)ccc2F)o1)NCC1OCCC1 |
| InChI | InChI=1S/C25H23FN2O4/c26-19-10-8-17(9-11-19)23-13-12-20(32-23)15-22(25(30)27-16-21-7-4-14-31-21)28-24(29)18-5-2-1-3-6-18/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H,27,30)(H,28,29)/t21-/m1/s1 |
| InChIK | ZKSDBSVYZDIGCS-OAQYLSRUSA-N |
| TotalMolweight | 434.466 |
| Molweight | 434.466 |
| MonoisotopicMass | 434.164186 |
| CLogP | 4.0546 |
| CLogS | -5.825 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 335.99 |
| Relative PSA | 0.2176 |
| PolarSurfaceArea | 80.57 |
| Druglikeness | 1.6898 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide