名称: 4-[4-(5-fluoro-2-methyl-benzyloxy)-benzenesulfonyl]-2-methyl-3-(4-methyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-piperazine-1-carboxylic acid methylamide
SMILES:
CNC(=O)N1CCN(S(=O)(=O)c2ccc(OCc3cc(F)ccc3C)cc2)C(C23OCC(C)(CO2)CO3)C1CMolecular Processing
Molecular formula
C27H34FN3O7S
Molecular weight
563.65
Exact mass
563.2101
XLogP
2.85
TPSA
106.64
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
39
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
138.91
Supplementary Information
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