Nom: pyrrolidine-1,2-dicarboxylic acid 2-[2-(7-bromo-9,10-dihydro-phenanthren-2-yl)-2-oxo-ethyl]ester 1-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)CCc1cc(Br)ccc1-2Molecular Processing
Molecular formula
C26H28BrNO5
Molecular weight
514.42
Exact mass
513.1151
XLogP
5.34
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
128.24
Supplementary Information
Récupération des détails…
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