ChemSpider 2D Image | 1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-{[(2-methyl-2-propanyl)oxy]methyl}phenyl)-1H-pyrrolo[3,2-b]pyridine | C30H35F2N3O2

1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-{[(2-methyl-2-propanyl)oxy]methyl}phenyl)-1H-pyrrolo[3,2-b]pyridine

  • Molecular FormulaC30H35F2N3O2
  • Average mass507.615 Da
  • Monoisotopic mass507.269745 Da
  • ChemSpider ID129064099

More details:

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

1-[(4,4-Difluorcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-{[(2-methyl-2-propanyl)oxy]methyl}phenyl)-1H-pyrrolo[3,2-b]pyridin [German] [ACD/IUPAC Name]
1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-{[(2-methyl-2-propanyl)oxy]methyl}phenyl)-1H-pyrrolo[3,2-b]pyridine [ACD/IUPAC Name]
1-[(4,4-Difluorocyclohexyl)méthyl]-6-(3,5-diméthyl-1,2-oxazol-4-yl)-3-(4-{[(2-méthyl-2-propanyl)oxy]méthyl}phényl)-1H-pyrrolo[3,2-b]pyridine [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,2-b]pyridine, 1-[(4,4-difluorocyclohexyl)methyl]-3-[4-[(1,1-dimethylethoxy)methyl]phenyl]-6-(3,5-dimethyl-4-isoxazolyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 328.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 6914.65
ACD/KOC (pH 5.5): 16191.27
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13154.90
ACD/KOC (pH 7.4): 30803.38
Polar Surface Area: 53 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 417.7±7.0 cm3

Click to predict properties on the Chemicalize site


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