SMILES:
COc1ccncc1-c1ccc2[nH]nc(Nc3nc4cc(CN5CCOCC5)ccc4n3C3CCCCC3)c2c1Molecular Processing
Molecular formula
C31H35N7O2
Molecular weight
537.67
Exact mass
537.2852
XLogP
6.06
TPSA
93.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
157.11
Supplementary Information
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