Name: [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]carbamic acid tert-butyl ester
SMILES:
CCN1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1Molecular Processing
Molecular formula
C17H28N4O2
Molecular weight
320.44
Exact mass
320.2212
XLogP
2.57
TPSA
57.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
91.48
Supplementary Information
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