SMILES:
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4ccccc4)cc32)c(C)c1CC(=O)N1CCOCC1Molecular Processing
Molecular formula
C28H29N3O5S
Molecular weight
519.62
Exact mass
519.1828
XLogP
3.5
TPSA
108.57
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
141.64
Supplementary Information
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