Nom: (±)-3-[4-(benzyloxy)-6-chloro-2,3-dihydro-1H-inden-5-yl]-2-hydroxypropyl 4-methylbenzenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)OCC(O)Cc2c(Cl)cc3c(c2OCc2ccccc2)CCC3)cc1Molecular Processing
Molecular formula
C26H27ClO5S
Molecular weight
487.02
Exact mass
486.1268
XLogP
5.03
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
128.28
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→