Name: methyl 4-[3-(1-methylimidazol-2-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate
SMILES:
COC(=O)c1ccc(C=CCc2nccn2C)cc1-c1ccc(F)cc1Molecular Processing
Molecular formula
C21H19FN2O2
Molecular weight
350.39
Exact mass
350.1431
XLogP
4.27
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
99.12
Supplementary Information
Details werden geladen…
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