Cc1cc(OC2CCSCC2)cc(C)c1-c1cccc(CN(c2ccc(CCC(=O)OC(C)(C)C)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1
SMILES: Cc1cc(OC2CCSCC2)cc(C)c1-c1cccc(CN(c2ccc(CCC(=O)OC(C)(C)C)c(F)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

Molecular Processing

Molecular formula
C39H43FN2O7S2
Molecular weight
734.91
Exact mass
734.2496
XLogP
8.96
TPSA
116.05
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
51
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.359
Molar refractivity
199.36

Supplementary Information

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