| CID | 1199982 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 763 |
| pubchem_cactvs_hbond_acceptor | 8 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7OYAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHwAQAAAADATBmBcwDoPABECIAqFSEAKCCAAkIAAIiIHOjMgfJjKEtT+nOSrkxhGeqYe431JuIAADAAAAQABAAAYAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-[3-(trifluoromethyl)benzyl]-2-furamide |
| pubchem_nist_inchi | InChI=1S/C29H25F3N2O4/c30-29(31,32)23-8-4-7-21(13-23)15-33-28(35)26-12-10-24(38-26)18-34(16-20-5-2-1-3-6-20)17-22-9-11-25-27(14-22)37-19-36-25/h1-14H,15-19H2,(H,33,35) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 522.176642 |
| pubchem_molecular_formula | C29H25F3N2O4 |
| pubchem_molecular_weight | 522.51501 |
| pubchem_openeye_can_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F |
| pubchem_openeye_iso_smiles | C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=C3)CC4=CC=C(O4)C(=O)NCC5=CC(=CC=C5)C(F)(F)F |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 522.176642 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 38 |
| 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 | 13 16 8
13 17 8
14 20 8
15 23 8
15 24 8
16 18 8
17 21 8
18 19 8
19 21 8
20 25 8
22 25 8
23 28 8
24 29 8
28 31 8
29 31 8
32 33 8
32 35 8
33 34 8
34 36 8
35 37 8
36 37 8
4 14 8
4 22 8 |
