SMILES:
COc1ccc(S(=O)(=O)N2CC(CC(C)C)N(C(=O)OC(C)(C)C)CC2CO)cc1Molecular Processing
Molecular formula
C21H34N2O6S
Molecular weight
442.58
Exact mass
442.2138
XLogP
2.71
TPSA
96.38
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
113.94
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→