SMILES:
COc1ccc(S(=O)(=O)N(Cc2ccncc2)[C@@H](C(=O)NO)C2CCN(C(=O)OCCc3cccc4c3OCO4)CC2)cc1.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C32H35F3N4O11S
Molecular weight
740.71
Exact mass
740.1975
XLogP
3.61
TPSA
194.13
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
51
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
19
Covalent units
2
Fraction Csp3
0.375
Molar refractivity
169.28
Supplementary Information
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