SMILES:
COCCNCc1ccccc1Oc1ccc(-c2cn(C3CCOC3)c3ncnc(N)c23)cc1Molecular Processing
Molecular formula
C26H29N5O3
Molecular weight
459.55
Exact mass
459.227
XLogP
4.17
TPSA
96.45
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
131.95
Supplementary Information
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