| MolName | N-(4-fluorophenyl)-2-[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C24H18N3O6F |
| Smiles | O=C(COc1c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)cccc1)Nc(cc1)ccc1F |
| InChI | InChI=1S/C24H18FN3O6/c25-16-7-9-17(10-8-16)26-21(29)14-34-20-6-2-1-4-15(20)12-19-22(30)27-24(32)28(23(19)31)13-18-5-3-11-33-18/h1-12H,13-14H2,(H,26,29)(H,27,30,32) |
| InChIK | RYBSOZPPSRNTKN-UHFFFAOYSA-N |
| TotalMolweight | 463.42 |
| Molweight | 463.42 |
| MonoisotopicMass | 463.117965 |
| CLogP | 2.0902 |
| CLogS | -4.653 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 341.77 |
| Relative PSA | 0.30061 |
| PolarSurfaceArea | 117.95 |
| Druglikeness | 4.2068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-fluorophenyl)-2-[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide | 2 - N-(4-fluorophenyl)-2-[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]acetamide