Name: (1S,4S)-5-(6-amino-pyridine-3-carbonyl)-2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N)nc1Molecular Processing
Molecular formula
C16H22N4O3
Molecular weight
318.38
Exact mass
318.1692
XLogP
1.5
TPSA
88.76
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
84.82
Supplementary Information
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