CCCc1nc2cc(N(CCCOc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C
SMILES: CCCc1nc2cc(N(CCCOc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C31H36FN3O5S
Molecular weight
581.71
Exact mass
581.236
XLogP
6.13
TPSA
90.73
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
41
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
157.06

Supplementary Information

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