Название: Compound 4a
SMILES:
COc1ccc(C(OC(c2ccccc2)C2CC(O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)c2ccc(OC)cc2)cc1Molecular Processing
Molecular formula
C40H46N2O7
Molecular weight
666.82
Exact mass
666.3305
XLogP
7
TPSA
106.56
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
187.32
Supplementary Information
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