SMILES:
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C)(C(=O)N4CCCC4)C3)n(C)c2n1Molecular Processing
Molecular formula
C29H37N9O2
Molecular weight
543.68
Exact mass
543.307
XLogP
2.68
TPSA
97.44
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
40
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.552
Molar refractivity
152.52
Supplementary Information
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