CCCC1=C(C(=O)NC(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N
Nombre: 2-[4-[(2-methyl-6-oxo-4-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
SMILES: CCCC1=C(C(=O)NC(=N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Molecular Processing

Molecular formula
C22H21N3O
Molecular weight
343.43
Exact mass
343.1685
XLogP
4.16
TPSA
69.54
H-bond donors
1
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
4
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
102.99

Supplementary Information

InChIKey: MMZHGBUFIMSELI-UHFFFAOYSA-N
Sinónimos
SCHEMBL1896983SCHEMBL9307715MMZHGBUFIMSELI-UHFFFAOYSA-N4'-[(2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl)methyl]biphenyl-2-carbonitrile4'-[(2-methyl-6-oxo-4-propyl-1,6-dihyrdopyrimidin-5-yl)methyl]biphenyl-2-carbonitrile
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