SMILES:
COc1ccc(CNc2ncnc3c2ccn3C2OC(CN)C3OC(C)(C)OC32)c(OC)c1Molecular Processing
Molecular formula
C23H29N5O5
Molecular weight
455.52
Exact mass
455.2169
XLogP
2.44
TPSA
114.91
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
121.19
Supplementary Information
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