Nombre: ethyl 5-bromo-4-[(tert-butoxycarbonyl)amino]thiophene-2-carboxylate
SMILES:
CCOC(=O)c1cc(NC(=O)OC(C)(C)C)c(Br)s1Molecular Processing
Molecular formula
C12H16BrNO4S
Molecular weight
350.23
Exact mass
348.9983
XLogP
4.03
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.83
Supplementary Information
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