COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(Cl)cc3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(OC)c1
SMILES: COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(Cl)c(Oc3ccc(Cl)cc3C3CCN(C(=O)OC(C)(C)C)CC3)cc2F)c(OC)c1

Molecular Processing

Molecular formula
C33H35Cl2FN4O7S2
Molecular weight
753.7
Exact mass
752.1308
XLogP
8.3
TPSA
120.39
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
49
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
185.54

Supplementary Information

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