CCCC1=C(C(=O)N(C2=NC=NN12)C3CC(C3)C(=O)C)CC4=CC=C(C=C4)C5=CC=CC=C5C#N
الاسم: 2-[4-[[4-(3-acetylcyclobutyl)-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]benzonitrile
SMILES: CCCC1=C(C(=O)N(C2=NC=NN12)C3CC(C3)C(=O)C)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

Molecular Processing

Molecular formula
C28H27N5O2
Molecular weight
465.56
Exact mass
465.2165
XLogP
4.51
TPSA
93.05
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
133.08

Supplementary Information

InChIKey: FSDSXUUDAAIYMP-UHFFFAOYSA-N
مرادفات
SCHEMBL1371445SCHEMBL1371446SCHEMBL1372671FSDSXUUDAAIYMP-YHBQERECSA-NFSDSXUUDAAIYMP-ZRZAMGCNSA-N4'-{[4-(cis-3-acetylcyclobutyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile4'-{[4-(trans-3-acetylcyclobutyl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
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