SMILES:
COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ncccc3C)cn2)cc1Molecular Processing
Molecular formula
C36H38N8O3
Molecular weight
630.75
Exact mass
630.3067
XLogP
5.39
TPSA
101.86
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
47
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
181.65
Supplementary Information
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