Название: 2-(3-bromo-5-methyl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(C)cc(Br)c1)N2Molecular Processing
Molecular formula
C21H24BrNO2
Molecular weight
402.33
Exact mass
401.099
XLogP
5.67
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
105.13
Supplementary Information
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