SMILES:
CC(C)CCc1c(-c2ccc(S(N)(=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=OMolecular Processing
Molecular formula
C21H22FN3O3S
Molecular weight
415.49
Exact mass
415.1366
XLogP
3.27
TPSA
95.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
109.76
Supplementary Information
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