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Search term: BBNQDLYPKWMPGL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-{5-[2-(Benzyloxy)-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone | C32H32N4O3

1-{5-[2-(Benzyloxy)-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID3923928

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{5-[2-(Benzyloxy)-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanon [German] [ACD/IUPAC Name]
1-{5-[2-(Benzyloxy)-3-methoxyphenyl]-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone [ACD/IUPAC Name]
1-{5-[2-(Benzyloxy)-3-méthoxyphényl]-4-[4-(diméthylamino)phényl]-1-phényl-4,5-dihydro-1H-1,2,4-triazol-3-yl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-(dimethylamino)phenyl]-4,5-dihydro-5-[3-methoxy-2-(phenylmethoxy)phenyl]-1-phenyl-1H-1,2,4-triazol-3-yl]- [ACD/Index Name]
1-[5-(2-Benzyloxy-3-methoxy-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 659.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.4±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 155.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2368.81
ACD/KOC (pH 5.5): 6674.34
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6774.33
ACD/KOC (pH 7.4): 19087.32
Polar Surface Area: 58 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 448.3±7.0 cm3

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