Found 84 results

Search term: MF = 'C_{21}H_{16}ClF_{3}N_{4}O_{2}S'
ChemSpider 2D Image | 1-[10-Chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone | C21H16ClF3N4O2S

1-[10-Chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

  • Molecular FormulaC21H16ClF3N4O2S
  • Average mass480.891 Da
  • Monoisotopic mass480.063446 Da
  • ChemSpider ID22980319

More details:

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

1-[10-Chlor-3-(ethylsulfanyl)-6-[4-(trifluormethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanon [German] [ACD/IUPAC Name]
1-[10-Chloro-3-(ethylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone [ACD/IUPAC Name]
1-[10-Chloro-3-(éthylsulfanyl)-6-[4-(trifluorométhyl)phényl][1,2,4]triazino[5,6-d][3,1]benzoxazépin-7(6H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[10-chloro-3-(ethylthio)-6-[4-(trifluoromethyl)phenyl]-1,2,4-triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]- [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: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 114.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7038.42
ACD/KOC (pH 5.5): 19751.80
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 7038.82
ACD/KOC (pH 7.4): 19752.92
Polar Surface Area: 94 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 315.6±5.0 cm3

Click to predict properties on the Chemicalize site


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