이름: 6-((2S,4R)-1-acetyl-4-((5-cyanopyridin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)nicotinic acid
SMILES:
CC(=O)N1c2ccc(-c3ccc(C(=O)O)cn3)cc2[C@H](Nc2ccc(C#N)cn2)C[C@@H]1CMolecular Processing
Molecular formula
C24H21N5O3
Molecular weight
427.46
Exact mass
427.1644
XLogP
4.01
TPSA
119.21
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
119.19
Supplementary Information
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