이름: lithium 4-((2S,4R)-1-acetyl-4-((isopropoxycarbonyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoate
SMILES:
CC(=O)N1c2ccc(-c3ccc(C(=O)[O-])cc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C.[Li+]Molecular Processing
Molecular formula
C23H25LiN2O5
Molecular weight
416.4
Exact mass
416.1924
XLogP
0.04
TPSA
98.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.348
Molar refractivity
110.94
Supplementary Information
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