이름: tert-Butyl 4-(2-(2,4-difluorophenyl)acetyl)piperazine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(F)cc2F)CC1Molecular Processing
Molecular formula
C17H22F2N2O3
Molecular weight
340.37
Exact mass
340.1598
XLogP
2.59
TPSA
49.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
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
0.529
Molar refractivity
84.45
Supplementary Information
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