Name: N-(5-benzyloxy-6-hydroxymethyl-4-oxo-4H-pyran-2-ylmethyl)-2-methyl-benzenesulfonamide
SMILES:
Cc1ccccc1S(=O)(=O)NCc1cc(=O)c(OCc2ccccc2)c(CO)o1Molecular Processing
Molecular formula
C21H21NO6S
Molecular weight
415.47
Exact mass
415.109
XLogP
2.5
TPSA
105.84
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
106.88
Supplementary Information
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