ChemSpider 2D Image | 2-{[4-(3-Fluorophenyl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethanone | C22H21FN6O4S

2-{[4-(3-Fluorophenyl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethanone

  • Molecular FormulaC22H21FN6O4S
  • Average mass484.503 Da
  • Monoisotopic mass484.132904 Da
  • ChemSpider ID33026566

More details:

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

2-{[4-(3-Fluorophenyl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethanone [ACD/IUPAC Name]
2-{[4-(3-Fluorophényl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)éthanone [French] [ACD/IUPAC Name]
2-{[4-(3-Fluorphenyl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-nitro-2,3-dihydro-1H-indol-1-yl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-(2,3-dihydro-5-nitro-1H-indol-1-yl)-2-[[4-(3-fluorophenyl)-5-(4-morpholinyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 774.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 422.1±35.7 °C
Index of Refraction: 1.731
Molar Refractivity: 124.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 85.86
ACD/KOC (pH 5.5): 840.52
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.75
ACD/KOC (pH 7.4): 849.18
Polar Surface Area: 135 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 312.1±7.0 cm3

Click to predict properties on the Chemicalize site


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