SMILES:
CCOC(=O)COc1ccc(C(=O)CN2CCN(C3CCN(C(=O)OC(CC)OC(C)=O)CC3)CC2=O)cc1Molecular Processing
Molecular formula
C27H37N3O9
Molecular weight
547.61
Exact mass
547.253
XLogP
1.86
TPSA
131.99
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
39
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
137.97
Supplementary Information
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