| CID | 1199910 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 815 |
| pubchem_cactvs_hbond_acceptor | 9 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 9 |
| pubchem_cactvs_subskeys | AAADceB7sYBgAAAAAAAAAAAAAAAAAWLEgAAwYAAAAAAAAAAB/AAAHwQYAAAADAzl3xaz15fMFEiuA69y9ASS+KtnKrgdiLW/bNiObrLkvbuXOSjkzhP46aeY0UIOAAACAAAAEAAAAAQAAAAgAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thiazole-4-carboxamide |
| pubchem_iupac_cas_name | 2-[[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-4-thiazolecarboxamide |
| pubchem_iupac_systematic_name | 2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide |
| pubchem_iupac_traditional_name | 2-[[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-[3-(trifluoromethyl)benzyl]thiazole-4-carboxamide |
| pubchem_nist_inchi | InChI=1S/C26H20F3N5O3S2/c1-36-20-9-3-2-8-19(20)34-23(21-10-5-11-37-21)32-33-25(34)39-15-22-31-18(14-38-22)24(35)30-13-16-6-4-7-17(12-16)26(27,28)29/h2-12,14H,13,15H2,1H3,(H,30,35) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 571.095966 |
| pubchem_molecular_formula | C26H20F3N5O3S2 |
| pubchem_molecular_weight | 571.59391 |
| pubchem_openeye_can_smiles | COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C5=CC=CO5 |
| pubchem_openeye_iso_smiles | COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C5=CC=CO5 |
| pubchem_cactvs_tpsa | 95.1 |
| pubchem_monoisotopic_weight | 571.095966 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 39 |
| 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 | 10 12 8
10 15 8
12 16 8
13 28 8
13 31 8
14 17 8
14 21 8
17 25 8
18 23 8
18 26 8
2 28 8
2 37 8
20 30 8
21 27 8
23 24 8
24 32 8
25 29 8
26 34 8
27 29 8
30 36 8
31 37 8
32 34 8
36 38 8
6 20 8
6 38 8
9 15 8
|
