ChemSpider 2D Image | 1-Methyl-5-[(2,3,5,6-tetrafluorophenyl)sulfonyl]-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine | C14H13F4N3O2S

1-Methyl-5-[(2,3,5,6-tetrafluorophenyl)sulfonyl]-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine

  • Molecular FormulaC14H13F4N3O2S
  • Average mass363.331 Da
  • Monoisotopic mass363.066467 Da
  • ChemSpider ID64266185

More details:






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

1-Methyl-5-[(2,3,5,6-tetrafluorophenyl)sulfonyl]-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine [ACD/IUPAC Name]
1-Méthyl-5-[(2,3,5,6-tétrafluorophényl)sulfonyl]-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azépine [French] [ACD/IUPAC Name]
1-Methyl-5-[(2,3,5,6-tetrafluorphenyl)sulfonyl]-1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepin [German] [ACD/IUPAC Name]
Pyrazolo[4,3-c]azepine, 1,4,5,6,7,8-hexahydro-1-methyl-5-[(2,3,5,6-tetrafluorophenyl)sulfonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 483.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.1±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.39
ACD/KOC (pH 5.5): 591.79
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.42
ACD/KOC (pH 7.4): 592.13
Polar Surface Area: 64 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 229.8±7.0 cm3

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