| CID | 1199990 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 577 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7MQAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAAAB0AAAHwAAAAAADATBmA4yBoMABECIAqFSEAKCCAAkIAAIiAHODMgOJjKEtT+HOSjkxhGYqYeY3wJuIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-furyl]-(1-piperidyl)methanone |
| pubchem_iupac_cas_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-furyl]-(1-piperidyl)methanone |
| pubchem_iupac_systematic_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-piperidin-1-yl-methanone |
| pubchem_iupac_traditional_name | [5-[[(3-fluorobenzyl)-p-anisyl-amino]methyl]-2-furyl]-piperidino-methanone |
| pubchem_nist_inchi | InChI=1S/C26H29FN2O3/c1-31-23-10-8-20(9-11-23)17-28(18-21-6-5-7-22(27)16-21)19-24-12-13-25(32-24)26(30)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15,17-19H2,1H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 436.216221 |
| pubchem_molecular_formula | C26H29FN2O3 |
| pubchem_molecular_weight | 436.518463 |
| pubchem_openeye_can_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)N4CCCCC4 |
| pubchem_openeye_iso_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)N4CCCCC4 |
| pubchem_cactvs_tpsa | 45.9 |
| pubchem_monoisotopic_weight | 436.216221 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 32 |
| 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 | 1 |
| pubchem_bondannotations | 13 18 8
15 19 8
18 19 8
2 13 8
2 15 8
20 22 8
20 23 8
21 24 8
21 25 8
22 26 8
23 27 8
24 29 8
25 30 8
26 28 8
27 28 8
29 31 8
30 31 8 |
