COc1ccccc1-c1ccc2c(c1)C(C(C)O)=CC(C)(C)N2C(=O)OC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OCC1CCCCC1)=CC(C)(C)N2
Name: 4-(1-Cyclohexylmethoxyethyl)-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)OCC1CCCCC1)=CC(C)(C)N2

Molecular Processing

Molecular formula
C52H66N2O6
Molecular weight
815.11
Exact mass
814.4921
XLogP
12.6
TPSA
89.49
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
60
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
0.442
Molar refractivity
246.98

Supplementary Information

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