SMILES:
COCCc1nc2c(N)nc3cc(OCC4OCCO4)ccc3c2n1CC(C)(C)OMolecular Processing
Molecular formula
C21H28N4O5
Molecular weight
416.48
Exact mass
416.206
XLogP
1.88
TPSA
113.88
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
112.51
Supplementary Information
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