| MolName | N-[2-oxo-2-[2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide |
| MolecularFormula | C24H24N3O4F3 |
| Smiles | O=C(CNC(c1ccco1)=O)N1CCC(CC2)(CN2C(/C=C/c(c(F)c2F)ccc2F)=O)CC1 |
| InChI | InChI=1S/C24H24F3N3O4/c25-17-5-3-16(21(26)22(17)27)4-6-19(31)30-12-9-24(15-30)7-10-29(11-8-24)20(32)14-28-23(33)18-2-1-13-34-18/h1-6,13H,7-12,14-15H2,(H,28,33) |
| InChIK | UPIMQFGVLOJVDI-UHFFFAOYSA-N |
| TotalMolweight | 475.466 |
| Molweight | 475.466 |
| MonoisotopicMass | 475.171891 |
| CLogP | 2.8394 |
| CLogS | -4.004 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 347.06 |
| Relative PSA | 0.20685 |
| PolarSurfaceArea | 82.86 |
| Druglikeness | 4.153 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-oxo-2-[2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide | 2 - N-[2-oxo-2-[2-[(E)-3-(2,3,4-trifluorophenyl)prop-2-enoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]furan-2-carboxamide