ChemSpider 2D Image | 3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-7-(methylsulfonyl)-5H-pyrido[3,2-b]indole | C28H29FN6O4S

3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-7-(methylsulfonyl)-5H-pyrido[3,2-b]indole

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID128966599

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-fluor-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-7-(methylsulfonyl)-5H-pyrido[3,2-b]indol [German] [ACD/IUPAC Name]
3-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-7-(methylsulfonyl)-5H-pyrido[3,2-b]indole [ACD/IUPAC Name]
3-(1,4-Diméthyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluoro-2-pyridinyl)(tétrahydro-2H-pyran-4-yl)méthyl]-9-méthoxy-7-(méthylsulfonyl)-5H-pyrido[3,2-b]indole [French] [ACD/IUPAC Name]
5H-Pyrido[3,2-b]indole, 3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(3-fluoro-2-pyridinyl)(tetrahydro-2H-pyran-4-yl)methyl]-9-methoxy-7-(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: 749.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±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: 1.65
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.90
ACD/KOC (pH 5.5): 571.24
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.00
ACD/KOC (pH 7.4): 572.45
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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