Name: pyrrolidine-1,2-dicarboxylic acid 2-{2-[9-(2-bromo-acetyl)-5,7-dihydro-dibenzo[c,e]oxepin-3-yl]-2-oxo-ethyl}ester 1-tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1ccc2c(c1)COCc1cc(C(=O)CBr)ccc1-2Molecular Processing
Molecular formula
C28H30BrNO7
Molecular weight
572.45
Exact mass
571.1206
XLogP
5.09
TPSA
99.21
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
139.75
Supplementary Information
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Involved in 11 reactions→