الاسم: 5-(3-(aminomethyl)-2,6-dimethylphenyl)-2-(4-(trifluoromethyl)phenyl)-2H-1,2,4-triazol-3(4H)-one
SMILES:
Cc1ccc(CN)c(C)c1-c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1Molecular Processing
Molecular formula
C18H17F3N4O
Molecular weight
362.36
Exact mass
362.1354
XLogP
3.32
TPSA
76.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.99
Supplementary Information
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