CCOC1CC(C(=O)OC2CCc3cc4c(cc3C2=O)OCc2cc(Cl)ccc2-4)N(C(=O)OC(C)(C)C)C1
SMILES: CCOC1CC(C(=O)OC2CCc3cc4c(cc3C2=O)OCc2cc(Cl)ccc2-4)N(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C29H32ClNO7
Molecular weight
542.03
Exact mass
541.1867
XLogP
5.35
TPSA
91.37
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
38
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
140.51

Supplementary Information

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