Name: [5-(2,2-dimethyl-3-oxo-piperazin-1-ylmethyl)-pyridin-2-yl]-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)Nc1ccc(CN2CCNC(=O)C2(C)C)cn1Molecular Processing
Molecular formula
C17H26N4O3
Molecular weight
334.42
Exact mass
334.2005
XLogP
2.14
TPSA
83.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
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
0.588
Molar refractivity
91.59
Supplementary Information
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