CC(=O)OC(CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
SMILES: CC(=O)OC(CC(=O)O)C(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1

Molecular Processing

Molecular formula
C27H22FN3O5S
Molecular weight
519.55
Exact mass
519.1264
XLogP
4.92
TPSA
118.48
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
135.7

Supplementary Information

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