CCN(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)OCc2ccccc2)C1
SMILES: CCN(CC1OC(n2cnc3c(N)ncnc32)C2OC(C)(C)OC12)C1CC(CCC(=O)OCc2ccccc2)C1

Molecular Processing

Molecular formula
C29H38N6O5
Molecular weight
550.66
Exact mass
550.2904
XLogP
3.45
TPSA
126.85
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
146.7

Supplementary Information

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