CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)Br)C3=CC=CC=C3
CAS: 59757-16-3
Name: 3-(3-bromophenyl)-1-methyl-5-phenylpyridin-4-one
SMILES: CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)Br)C3=CC=CC=C3

Molecular Processing

Molecular formula
C18H14BrNO
Molecular weight
340.22
Exact mass
339.0259
XLogP
4.48
TPSA
22
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
90.26

Supplementary Information

InChIKey: XDMRNCUFUOAHJN-UHFFFAOYSA-N
Synonyme
59757-16-33-(3-Bromophenyl)-1-methyl-5-phenylpyridin-4(1H)-one3-(3-bromophenyl)-1-methyl-5-phenyl-4(1H)-pyridinoneSCHEMBL11178194DTXSID00512193XDMRNCUFUOAHJN-UHFFFAOYSA-N5-(3-bromophenyl)-1-methyl-3-phenyl-4(1H)-pyridinone
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