SMILES:
CC(C)(C)SCc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=OMolecular Processing
Molecular formula
C22H23FN2O3S2
Molecular weight
446.57
Exact mass
446.1134
XLogP
4.47
TPSA
69.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
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
0.273
Molar refractivity
119.39
Supplementary Information
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