SMILES:
O=C(O)C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(OC(F)(F)F)cc4s3)c(F)c2)cc1Molecular Processing
Molecular formula
C27H20F4N2O4S
Molecular weight
544.53
Exact mass
544.108
XLogP
7.43
TPSA
88.52
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
134.22
Supplementary Information
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