Nombre: tert-butyl 6-cyclohexyl-3-[3-[(4-methylphenyl)sulfonyloxymethyl]-1,2,4-oxadiazol-5-yl]hexanoate
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OCC2=NOC(=N2)C(CCCC3CCCCC3)CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H38N2O6S
Molecular weight
506.67
Exact mass
506.2451
XLogP
5.85
TPSA
108.59
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
131.08
Supplementary Information
InChIKey: GDCDMIWAQRJMFA-UHFFFAOYSA-N
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