SMILES:
CC(C)(C)OC(=O)NC1CSCC(Cc2ccc(NC(=O)OCc3ccccc3)c(F)c2)C1OMolecular Processing
Molecular formula
C25H31FN2O5S
Molecular weight
490.6
Exact mass
490.1938
XLogP
4.73
TPSA
96.89
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
130.33
Supplementary Information
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