Nombre: 5-(3-Ethoxy-4-trifluoromethyl-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine
SMILES:
C#Cc1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)c(OCC)c3)nc12Molecular Processing
Molecular formula
C18H11F6N3O
Molecular weight
399.29
Exact mass
399.0806
XLogP
4.81
TPSA
39.42
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
87.53
Supplementary Information
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