SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccc(CN4CCOCC4)cc3)cc1)cn2C1CCOC1Molecular Processing
Molecular formula
C27H29N5O3
Molecular weight
471.56
Exact mass
471.227
XLogP
4.27
TPSA
87.66
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
134.46
Supplementary Information
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