CID | 1199991 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 580 |
pubchem_cactvs_hbond_acceptor | 6 |
pubchem_cactvs_hbond_donor | 0 |
pubchem_cactvs_rotatable_bond | 8 |
pubchem_cactvs_subskeys | AAADceB7OQAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAAAB0AAAHwAAAAAADAThmA4yBoMABECIAqFSEAKCCAAkIAAIiAHODMgOJjKEtT+HOSjkxhGYqYeY3wJuIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-furyl]-morpholino-methanone |
pubchem_iupac_cas_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-2-furyl]-morpholinomethanone |
pubchem_iupac_systematic_name | [5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-morpholin-4-yl-methanone |
pubchem_iupac_traditional_name | [5-[[(3-fluorobenzyl)-p-anisyl-amino]methyl]-2-furyl]-morpholino-methanone |
pubchem_nist_inchi | InChI=1S/C25H27FN2O4/c1-30-22-7-5-19(6-8-22)16-27(17-20-3-2-4-21(26)15-20)18-23-9-10-24(32-23)25(29)28-11-13-31-14-12-28/h2-10,15H,11-14,16-18H2,1H3 |
pubchem_cactvs_xlogp | 0 |
pubchem_exact_mass | 438.195486 |
pubchem_molecular_formula | C25H27FN2O4 |
pubchem_molecular_weight | 438.491283 |
pubchem_openeye_can_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)N4CCOCC4 |
pubchem_openeye_iso_smiles | COC1=CC=C(C=C1)CN(CC2=CC(=CC=C2)F)CC3=CC=C(O3)C(=O)N4CCOCC4 |
pubchem_cactvs_tpsa | 55.2 |
pubchem_monoisotopic_weight | 438.195486 |
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 | 15 20 8
17 21 8
18 22 8
18 23 8
19 24 8
19 25 8
20 21 8
22 26 8
23 27 8
24 29 8
25 30 8
26 28 8
27 28 8
29 31 8
3 15 8
3 17 8
30 31 8 |