Название: 1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
SMILES:
COC(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1Molecular Processing
Molecular formula
C19H13F6N3O2
Molecular weight
429.32
Exact mass
429.0912
XLogP
4.82
TPSA
57.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
92.35
Supplementary Information
Загрузка подробностей…
Участвует в 2 реакциях→