SMILES:
O=C1Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2C1=Cc1cc2cc(OCCN3CCCC3)ccc2[nH]1Molecular Processing
Molecular formula
C29H28N4O4S
Molecular weight
528.63
Exact mass
528.1831
XLogP
4.94
TPSA
103.53
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
149.66
Supplementary Information
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