Name: 8-(6-chloro-2-(4-nitrophenyl)pyrimidin-4-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILES:
O=[N+]([O-])c1ccc(-c2nc(Cl)cc(N3C4CCC3COC4)n2)cc1Molecular Processing
Molecular formula
C16H15ClN4O3
Molecular weight
346.77
Exact mass
346.0833
XLogP
3.07
TPSA
81.39
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
89.24
Supplementary Information
Details werden geladen…
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