Name: 4-(5-fluoro-2-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid t-butyl ester
SMILES:
COc1ccc(F)cc1C1=CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C17H22FNO3
Molecular weight
307.37
Exact mass
307.1584
XLogP
3.86
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
83.35
Supplementary Information
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