SMILES:
CCCCCCCC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21Molecular Processing
Molecular formula
C25H31N3O6S
Molecular weight
501.61
Exact mass
501.1934
XLogP
4.29
TPSA
114.9
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
131.19
Supplementary Information
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