Name: 4-(6-amino-pyridin-3-yl)-azepane-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC(c2ccc(N)nc2)CC1Molecular Processing
Molecular formula
C16H25N3O2
Molecular weight
291.4
Exact mass
291.1947
XLogP
3.17
TPSA
68.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
83.05
Supplementary Information
Details werden geladen…
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