SMILES:
Cc1cc(C)c(S(=O)(=O)NCCc2ccc(C(=CCCCC(=O)O)c3cccnc3)cc2)c(C)c1Molecular Processing
Molecular formula
C28H32N2O4S
Molecular weight
492.64
Exact mass
492.2083
XLogP
5.21
TPSA
96.36
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
138.79
Supplementary Information
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