名称: 4-(2-chloro-pyrimidin-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccnc(Cl)n2)CC1Molecular Processing
Molecular formula
C13H19ClN4O2
Molecular weight
298.77
Exact mass
298.1197
XLogP
2.19
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
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
0.615
Molar refractivity
77.06
Supplementary Information
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