CCOC(=O)C(C)(C)Oc1ccc(OC(c2ccccc2)c2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1C
SMILES: CCOC(=O)C(C)(C)Oc1ccc(OC(c2ccccc2)c2csc(-c3ccc(C(F)(F)F)cc3)c2)cc1C

Molecular Processing

Molecular formula
C31H29F3O4S
Molecular weight
554.63
Exact mass
554.1739
XLogP
8.63
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
39
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
146.19

Supplementary Information

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