الاسم: Et2O
SMILES:
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C4COC4)CC34CC4)n(C)c2n1Molecular Processing
Molecular formula
C29H37N9O2
Molecular weight
543.68
Exact mass
543.307
XLogP
2.15
TPSA
89.6
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
40
Rings
8
Aromatic rings
4
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
151.9
Supplementary Information
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