COc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(C(=O)O)C2)cn1
SMILES: COc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(C(=O)O)C2)cn1

Molecular Processing

Molecular formula
C23H21FN4O5S
Molecular weight
484.51
Exact mass
484.1217
XLogP
2.52
TPSA
114.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
119.44

Supplementary Information

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