SMILES:
COC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1CMolecular Processing
Molecular formula
C22H16F2N2O2S
Molecular weight
410.45
Exact mass
410.0901
XLogP
6.08
TPSA
51.22
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
110.77
Supplementary Information
Details werden geladen…
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