4'-{[1-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

HCID 57460406

Grundinformationen

Standard-SMILES
CCCc1nc(C)n(-c2ccc3c(c2)C(=O)CC(C)(C)O3)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1
InChIKey
GMTQXIWEPWBHIP-UHFFFAOYSA-N
Summenformel
C33H31N3O3
Durchschnittliche Molmasse
517,6 g/mol
Monoisotopische Masse
517,23654186

Namen und Bezeichner

Bevorzugter Name
4'-{[1-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile
IUPAC
2-[4-[[1-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile

Namen und Synonyme

SCHEMBL1895963GMTQXIWEPWBHIP-UHFFFAOYSA-N4'-{[1-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile

Datenbank-Bezeichner

PubChem CID
57460406

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,5
Polarare Oberfläche (TPSA)
82,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
6
Schwere Atome
39

Zugehörige Reaktionen

6

Notizen zur Verbindung

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4'-{[1-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-6-yl)-2-methyl-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl]methyl}biphenyl-2-carbonitrile (HCID 57460406)|Huagongshe