SMILES:
COc1cc(C(=O)OC(COc2cccc3c2CCC(=O)N3)CN2CCN(c3ccccc3)CC2)cc(OC)c1OCMolecular Processing
Molecular formula
C32H37N3O7
Molecular weight
575.66
Exact mass
575.2632
XLogP
4.02
TPSA
98.8
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
159.28
Supplementary Information
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