COc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(C(=O)OCC3CCC3)C2)cn1
SMILES: COc1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)CC3(C(=O)OCC3CCC3)C2)cn1

Molecular Processing

Molecular formula
C28H29FN4O5S
Molecular weight
552.63
Exact mass
552.1843
XLogP
3.78
TPSA
103.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
140.1

Supplementary Information

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