(E)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
Formula:C24H24N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C24H24N3O2F |
| Smiles | O=C(/C=C/c1ccco1)Nc(cc1)ccc1N1CCN(Cc(cccc2)c2F)CC1 |
| InChI | InChI=1S/C24H24FN3O2/c25-23-6-2-1-4-19(23)18-27-13-15-28(16-14-27)21-9-7-20(8-10-21)26-24(29)12-11-22-5-3-17-30-22/h1-12,17H,13-16,18H2,(H,26,29) |
| InChIK | OQRSNPGFUCTBND-UHFFFAOYSA-N |
| TotalMolweight | 405.472 |
| Molweight | 405.472 |
| MonoisotopicMass | 405.185255 |
| CLogP | 3.6223 |
| CLogS | -4.422 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.43 |
| Relative PSA | 0.14265 |
| PolarSurfaceArea | 48.72 |
| Druglikeness | 3.2064 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off