Name: 4-[5-(4-Fluorophenyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccc(F)cc3)cn2)CC1Molecular Processing
Molecular formula
C19H23FN4O2
Molecular weight
358.42
Exact mass
358.1805
XLogP
3.34
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
97.45
Supplementary Information
Details werden geladen…
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