이름: (S)-2-tert-butoxy-2-(5-(4-chlorophenyl)-7-methyl-2-((methylamino)methyl)quinolin-6-yl)ethanol
SMILES:
CNCc1ccc2c(-c3ccc(Cl)cc3)c([C@@H](CO)OC(C)(C)C)c(C)cc2n1Molecular Processing
Molecular formula
C24H29ClN2O2
Molecular weight
412.96
Exact mass
412.1918
XLogP
5.43
TPSA
54.38
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
120.35
Supplementary Information
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