C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C(C3=CC=NC=C3)Br
Name: 2-bromo-1-(4-phenylmethoxyphenyl)-2-pyridin-4-ylethanone
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C(C3=CC=NC=C3)Br

Molecular Processing

Molecular formula
C20H16BrNO2
Molecular weight
382.26
Exact mass
381.0364
XLogP
4.98
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
97.45

Supplementary Information

InChIKey: WALHVEBYJCLRBM-UHFFFAOYSA-N
Synonyme
SCHEMBL3270043WALHVEBYJCLRBM-UHFFFAOYSA-N1-(4-(benzyloxy)phenyl)-2-bromo-2-(pyridin-4-yl)ethanone
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