ChemSpider 2D Image | 2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenyl-3-hexanyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one | C27H32N4O4

2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenyl-3-hexanyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one

  • Molecular FormulaC27H32N4O4
  • Average mass476.567 Da
  • Monoisotopic mass476.242371 Da
  • ChemSpider ID23258683
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenyl-3-hexanyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-on [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenyl-3-hexanyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(1H)-one [ACD/IUPAC Name]
2-(3,4-Diméthoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phényl-3-hexanyl]-5-méthylimidazo[5,1-f][1,2,4]triazin-4(1H)-one [French] [ACD/IUPAC Name]
Imidazo[5,1-f][1,2,4]triazin-4(3H)-one, 2-[(3,4-dimethoxyphenyl)methyl]-7-[(1R)-1-[(1R)-1-hydroxyethyl]-4-phenylbutyl]-5-methyl- [ACD/Index Name]
2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-ethyl)-4-phenyl-butyl]-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
2-[(3,4-dimethoxyphenyl)methyl]-7-[(1R)-1-hydroxyethyl]-4-phenylbutyl]-5-methyl-imidazo[5,1-f][1,2,4]triazin-4(1H)-one
439083-90-6 [RN]
BAY 60-7550
BAY-60-7550

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.31
ACD/KOC (pH 5.5): 700.40
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.30
ACD/KOC (pH 7.4): 700.34
Polar Surface Area: 98 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 381.7±7.0 cm3

Click to predict properties on the Chemicalize site


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