SMILES:
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4C)n2)CCN(c2cc(C)ncn2)CC3)cc1Molecular Processing
Molecular formula
C27H34N8O2
Molecular weight
502.62
Exact mass
502.2805
XLogP
3.21
TPSA
108.4
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
144.18
Supplementary Information
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