Name: 6-bromo-N-ethoxalyl-2-(1-methoxycarbonylethyl)tetrahydroquinoline
SMILES:
CCOC(=O)C(=O)N1C2=CC=C(Br)CC2CCC1C(C)C(=O)OCMolecular Processing
Molecular formula
C17H22BrNO5
Molecular weight
400.27
Exact mass
399.0681
XLogP
2.53
TPSA
72.91
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.88
Supplementary Information
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Involved in 2 reactions→