Name: (RS)-3-[2-(tetrahydropyran-2-yloxymethyl)-pyridin-4-yl]-benzoic acid methyl ester
SMILES:
COC(=O)c1cccc(-c2ccnc(COC3CCCCO3)c2)c1Molecular Processing
Molecular formula
C19H21NO4
Molecular weight
327.38
Exact mass
327.1471
XLogP
3.58
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
89.39
Supplementary Information
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