Nom: Pyrrolidine-1,2-dicarboxylic acid 2-[2-(7-bromo-dibenzothiophen-3-yl)-2-oxo-ethyl]ester 1-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)sc1cc(Br)ccc12Molecular Processing
Molecular formula
C24H24BrNO5S
Molecular weight
518.43
Exact mass
517.0559
XLogP
5.94
TPSA
72.91
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
128.28
Supplementary Information
Récupération des détails…
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