Name: 4,5-Dibromo-2-[(tert-butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-1-methyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)CN(Cc1c(C(=O)OCC)c(Br)c(Br)n1C)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H26Br2N2O6
Molecular weight
526.22
Exact mass
524.0158
XLogP
4.03
TPSA
87.07
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
110.05
Supplementary Information
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