COC(=O)C(Cc1cn(C(=O)OC(C)(C)C)cn1)c1ccc(Cl)c(Cl)c1
SMILES: COC(=O)C(Cc1cn(C(=O)OC(C)(C)C)cn1)c1ccc(Cl)c(Cl)c1

Molecular Processing

Molecular formula
C18H20Cl2N2O4
Molecular weight
399.27
Exact mass
398.08
XLogP
4.47
TPSA
70.42
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
98.78

Supplementary Information

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