SMILES:
COC(=O)CN1C2CC(OC(=O)c3c[nH]c4ccccc34)CC1CC(C(=O)OC)C2Molecular Processing
Molecular formula
C22H26N2O6
Molecular weight
414.46
Exact mass
414.1791
XLogP
2.28
TPSA
97.93
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
107.77
Supplementary Information
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