이름: methyl-2-(4-fluoro-3-isobutyramidophenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)C(C)C)c1)N2Molecular Processing
Molecular formula
C23H27FN2O3
Molecular weight
398.48
Exact mass
398.2006
XLogP
4.94
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
111.5
Supplementary Information
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