Название: 4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline 4-(1-Hydroxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
SMILES:
COc1ccccc1-c1ccc2c(c1)C(C(C)O)=CC(C)(C)N2C(=O)OC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OCCC1CCCCC1)=CC(C)(C)N2Molecular Processing
Molecular formula
C53H68N2O6
Molecular weight
829.13
Exact mass
828.5077
XLogP
12.99
TPSA
89.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
61
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.453
Molar refractivity
251.59
Supplementary Information
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