Name: product
SMILES:
CC(C)(C)OC(=O)Nc1ccc(-c2cnc(O[C@H]3CN4CCC3CC4)nc2)cc1Molecular Processing
Molecular formula
C22H28N4O3
Molecular weight
396.49
Exact mass
396.2161
XLogP
3.96
TPSA
76.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.9
Supplementary Information
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