SMILES:
Cc1c(OCCC2(C)OCC3(CO2)OCCO3)ccnc1CS(=O)c1nc2ccccc2[nH]1.[Na]Molecular Processing
Molecular formula
C23H27N3NaO6S
Molecular weight
496.54
Exact mass
496.1518
XLogP
2.47
TPSA
104.79
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.478
Molar refractivity
125.99
Supplementary Information
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