| CID | 1199977 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 646 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAAwYMAAAAAAAEgB1AAAHgAQAAAADAzBmAcyzoPABECIAqVSUAKCCAAlIgAIiAHO7MgfJjLEtb+nOSrk1BHe6Ye43xJuKAABAAAAQABQAAIAAACAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(p-tolyl)furan-2-carboxamide |
| pubchem_iupac_cas_name | 5-[[1,3-benzodioxol-5-ylmethyl(benzyl)amino]methyl]-N-(p-tolyl)-2-furancarboxamide |
| pubchem_iupac_systematic_name | 5-[[1,3-benzodioxol-5-ylmethyl(phenylmethyl)amino]methyl]-N-(4-methylphenyl)furan-2-carboxamide |
| pubchem_iupac_traditional_name | 5-[[benzyl(piperonyl)amino]methyl]-N-(p-tolyl)-2-furamide |
| pubchem_nist_inchi | InChI=1S/C28H26N2O4/c1-20-7-10-23(11-8-20)29-28(31)26-14-12-24(34-26)18-30(16-21-5-3-2-4-6-21)17-22-9-13-25-27(15-22)33-19-32-25/h2-15H,16-19H2,1H3,(H,29,31) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 454.189257 |
| pubchem_molecular_formula | C28H26N2O4 |
| pubchem_molecular_weight | 454.51704 |
| pubchem_openeye_can_smiles | CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_openeye_iso_smiles | CC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5 |
| pubchem_cactvs_tpsa | 63.9 |
| pubchem_monoisotopic_weight | 454.189257 |
| 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 | 1 11 8
1 21 8
10 13 8
10 14 8
11 17 8
12 19 8
12 20 8
13 15 8
14 18 8
15 16 8
16 18 8
17 22 8
19 24 8
20 25 8
21 22 8
24 26 8
25 26 8
28 29 8
28 30 8
29 32 8
30 33 8
31 32 8
31 33 8 |
