| CID | 1199943 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 660 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 0 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAAAB0AAAHgAAAAAADATBmAYyBoMABECIAqFSEAKCCAAkIAAIiAHODMgOZjKEtT+XOSjkxhGYqYe43xJuAAABAAAAAAAAAAIAAAAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 1-[4-[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone |
| pubchem_iupac_cas_name | 1-[4-[[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]-2-furyl]-oxomethyl]-1-piperazinyl]ethanone |
| pubchem_iupac_systematic_name | 1-[4-[5-[[(3-methoxyphenyl)methyl-(phenylmethyl)amino]methyl]furan-2-yl]carbonylpiperazin-1-yl]ethanone |
| pubchem_iupac_traditional_name | 1-[4-[5-[[benzyl(m-anisyl)amino]methyl]-2-furoyl]piperazino]ethanone |
| pubchem_nist_inchi | InChI=1S/C27H31N3O4/c1-21(31)29-13-15-30(16-14-29)27(32)26-12-11-25(34-26)20-28(18-22-7-4-3-5-8-22)19-23-9-6-10-24(17-23)33-2/h3-12,17H,13-16,18-20H2,1-2H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 461.231456 |
| pubchem_molecular_formula | C27H31N3O4 |
| pubchem_molecular_weight | 461.55274 |
| pubchem_openeye_can_smiles | CC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC(=CC=C4)OC |
| pubchem_openeye_iso_smiles | CC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CN(CC3=CC=CC=C3)CC4=CC(=CC=C4)OC |
| pubchem_cactvs_tpsa | 66.2 |
| pubchem_monoisotopic_weight | 461.231456 |
| 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 | 1 |
| pubchem_bondannotations | 1 14 8
1 16 8
14 19 8
16 20 8
19 20 8
22 24 8
22 25 8
23 26 8
23 27 8
24 28 8
25 29 8
26 30 8
27 31 8
28 32 8
29 32 8
30 33 8
31 33 8 |
