SMILES:
O=C(C[n+]1ccc(CN2CCC(=CC3=C(C(=O)[O-])N4C(=O)C(NC(=O)CBr)C4SC3)C2=O)cc1)Nc1ccc(O)c(F)c1Molecular Processing
Molecular formula
C28H25BrFN5O7S
Molecular weight
674.51
Exact mass
673.0642
XLogP
-0.08
TPSA
163.06
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
152.3
Supplementary Information
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