SMILES:
CC(C)(C)OC(=O)N1CCC2c3c(ccc(Cl)c3Cl)N(CC(=O)O)C2CC1Molecular Processing
Molecular formula
C19H24Cl2N2O4
Molecular weight
415.32
Exact mass
414.1113
XLogP
4.38
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
105.01
Supplementary Information
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