이름: 2-(4-fluorophenethyl)-5-[1-(thiazol-2-yl)-2-(1-methylimidazol-5-yl)ethoxymethyl]benzoic acid
SMILES:
Cn1cncc1CCOC(c1ccc(CCc2ccc(F)cc2)c(C(=O)O)c1)c1nccs1Molecular Processing
Molecular formula
C25H24FN3O3S
Molecular weight
465.55
Exact mass
465.1522
XLogP
4.85
TPSA
77.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.03
Supplementary Information
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