ChemSpider 2D Image | 2-[1-(7-Isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-phenylethyl]-1H-isoindole-1,3(2H)-dione | C29H28N6O2

2-[1-(7-Isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-phenylethyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC29H28N6O2
  • Average mass492.572 Da
  • Monoisotopic mass492.227386 Da
  • ChemSpider ID26046920

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl]- [ACD/Index Name]
2-[1-(7-Isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-phenylethyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[1-(7-Isobutyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-phenylethyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[1-(7-Isobutyl-8,9-diméthyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-phényléthyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-[1-(6-Isobutyl-7,8-dimethyl-6H-1,3,3a,5,6-pentaaza-as-indacen-2-yl)-2-phenyl-ethyl]-isoindole-1,3-dione
2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7654.14
ACD/KOC (pH 5.5): 20971.71
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7657.19
ACD/KOC (pH 7.4): 20980.07
Polar Surface Area: 85 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 365.3±7.0 cm3

Click to predict properties on the Chemicalize site


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