ChemSpider 2D Image | 3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorophenyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-6-(methylsulfonyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]pyridine | C28H29FN6O4S

3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorophenyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-6-(methylsulfonyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]pyridine

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID128978598

More details:

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

3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorophenyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-6-(methylsulfonyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]pyridine [ACD/IUPAC Name]
3-(1,4-Diméthyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorophényl)(tétrahydro-2H-pyran-4-yl)méthyl]-9-méthoxy-6-(méthylsulfonyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]pyridine [French] [ACD/IUPAC Name]
3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorphenyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-6-(methylsulfonyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-b]pyridin [German] [ACD/IUPAC Name]
5H-Pyrrolo[3,2-b:4,5-c']dipyridine, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluorophenyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-6-(methylsulfonyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 747.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 16.99
ACD/KOC (pH 5.5): 155.91
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 101.74
ACD/KOC (pH 7.4): 933.93
Polar Surface Area: 122 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 384.6±7.0 cm3

Click to predict properties on the Chemicalize site


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