SMILES:
O=C(O)COc1cccc(Cl)c1CN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C21H22Cl2N2O4
Molecular weight
437.32
Exact mass
436.0957
XLogP
3.34
TPSA
70.08
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
111.6
Supplementary Information
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