CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c(C(C)(C)CC)c1
SMILES: CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C3=NN(c4c(Cl)cc(Cl)cc4Cl)C(=O)C3)c2)c(C(C)(C)CC)c1

Molecular Processing

Molecular formula
C35H39Cl3N4O4
Molecular weight
686.08
Exact mass
684.2037
XLogP
8.86
TPSA
91.31
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.371
Molar refractivity
186.75

Supplementary Information

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