CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(C)c1
SMILES: CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(C)c1

Molecular Processing

Molecular formula
C29H31Cl4N3O2
Molecular weight
595.4
Exact mass
593.117
XLogP
8.05
TPSA
36.02
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
161.62

Supplementary Information

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