ChemSpider 2D Image | 1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone | C16H20F3N5O4S

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID33028715

More details:

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

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-[3-(trifluormethyl)-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}-2-[3-(trifluorométhyl)-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-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: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.54
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.54
Polar Surface Area: 110 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 282.7±7.0 cm3

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