SMILES:
Cc1nn(-c2ccccc2)c2nc(C3CCN(C4CCN(C(=O)OC(C)(C)C)C4)CC3)[nH]c(=O)c12Molecular Processing
Molecular formula
C26H34N6O3
Molecular weight
478.6
Exact mass
478.2692
XLogP
3.61
TPSA
96.35
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
133.98
Supplementary Information
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