CCOC(=O)CCC1=C(NC2=C1C(=CC(=C2)Br)Br)C(=O)OCC
Nombre: ethyl 4,6-dibromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate
SMILES: CCOC(=O)CCC1=C(NC2=C1C(=CC(=C2)Br)Br)C(=O)OCC

Molecular Processing

Molecular formula
C16H17Br2NO4
Molecular weight
447.12
Exact mass
444.9524
XLogP
4.37
TPSA
68.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
94.61

Supplementary Information

InChIKey: XQNOMCWYTPQKRO-UHFFFAOYSA-N
Sinónimos
SCHEMBL14738917XQNOMCWYTPQKRO-UHFFFAOYSA-Nethyl 4,6-dibromo-3-(3-ethoxy-3-oxopropyl)-1H-indole-2-carboxylate
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