| CID | 1199974 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 661 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OQAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHwAQAAAADAzBmA8wzoPABECIAqVSUAKCCAAlIgAIiAHO7MgfJjLEtb+nOSrk1BHe6Ye43xJuIAABAAAAQABAAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(2-fluorophenyl)-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-(2-fluorophenyl)furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-(2-fluorophenyl)-2-furamide |
| pubchem_nist_inchi | InChI=1S/C27H23FN2O4/c28-22-8-4-5-9-23(22)29-27(31)25-13-11-21(34-25)17-30(15-19-6-2-1-3-7-19)16-20-10-12-24-26(14-20)33-18-32-24/h1-14H,15-18H2,(H,29,31) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 458.164185 |
| pubchem_molecular_formula | C27H23FN2O4 |
| pubchem_molecular_weight | 458.480923 |
| pubchem_openeye_can_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NC5=CC=CC=C5F |
| pubchem_openeye_iso_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NC5=CC=CC=C5F |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 458.164185 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 34 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 11 14 8
11 15 8
12 19 8
13 20 8
13 21 8
14 16 8
15 18 8
16 17 8
17 18 8
19 23 8
2 12 8
2 22 8
20 25 8
21 26 8
22 23 8
25 27 8
26 27 8
29 30 8
29 31 8
30 32 8
31 33 8
32 34 8
33 34 8 |
