SMILES:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@@H]1CCC(c2cccc(Cl)c2Cl)CNC1=OMolecular Processing
Molecular formula
C22H30Cl2N2O5
Molecular weight
473.4
Exact mass
472.1532
XLogP
5.53
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
119.54
Supplementary Information
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