Name: 1-(4-(4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-((dimethylamino)methyl)pyrimidin-2-yl)phenyl)-3-methylurea
SMILES:
CNC(=O)Nc1ccc(-c2nc(CN(C)C)cc(N3C4CCC3COC4)n2)cc1Molecular Processing
Molecular formula
C21H28N6O2
Molecular weight
396.5
Exact mass
396.2274
XLogP
2.32
TPSA
82.62
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
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
0.476
Molar refractivity
113.05
Supplementary Information
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