COc1ccc(-c2ccc(C(CN3CCCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)cc1OC
SMILES: COc1ccc(-c2ccc(C(CN3CCCC3)N(C)C(=O)CN3C(=O)COc4cc(Cl)c(Cl)cc43)cc2)cc1OC

Molecular Processing

Molecular formula
C31H33Cl2N3O5
Molecular weight
598.53
Exact mass
597.1797
XLogP
5.7
TPSA
71.55
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
160.48

Supplementary Information

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