이름: 4-(4-amino-2,6-difluoro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N)cc2F)CC1Molecular Processing
Molecular formula
C15H21F2N3O2
Molecular weight
313.35
Exact mass
313.1602
XLogP
2.6
TPSA
58.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.79
Supplementary Information
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