Название: 1-Acetyl-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl ester
SMILES:
CC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2Molecular Processing
Molecular formula
C14H18F3N3O3
Molecular weight
333.31
Exact mass
333.13
XLogP
2.86
TPSA
64.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
73.88
Supplementary Information
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