COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4C4=CCN(C(=O)OC(C)(C)C)CC4)cccc3c2)cc1
SMILES: COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4C4=CCN(C(=O)OC(C)(C)C)CC4)cccc3c2)cc1

Molecular Processing

Molecular formula
C38H36F3N3O5S2
Molecular weight
735.85
Exact mass
735.2048
XLogP
9.41
TPSA
89.04
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
51
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
193.26

Supplementary Information

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