CCN(CC)CCc1ccc(OC)c(C2(N3CC(O)CC3C(=O)N(C)C)C(=O)N(S(=O)(=O)c3ccc(OC)cc3OC(F)(F)F)c3ccc(Cl)cc32)c1
SMILES: CCN(CC)CCc1ccc(OC)c(C2(N3CC(O)CC3C(=O)N(C)C)C(=O)N(S(=O)(=O)c3ccc(OC)cc3OC(F)(F)F)c3ccc(Cl)cc32)c1

Molecular Processing

Molecular formula
C36H42ClF3N4O8S
Molecular weight
783.27
Exact mass
782.2364
XLogP
4.64
TPSA
129.16
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
53
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
190.88

Supplementary Information

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