이름: methyl 2-(4-fluoro-3-(picolinamido)phenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)c3ccccn3)c1)N2Molecular Processing
Molecular formula
C25H24FN3O3
Molecular weight
433.48
Exact mass
433.1802
XLogP
5
TPSA
80.32
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
120.22
Supplementary Information
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