ChemSpider 2D Image | 1-[(4-Methoxyphenyl)sulfonyl]-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]azepane | C18H22F3N3O3S

1-[(4-Methoxyphenyl)sulfonyl]-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]azepane

  • Molecular FormulaC18H22F3N3O3S
  • Average mass417.446 Da
  • Monoisotopic mass417.133392 Da
  • ChemSpider ID29862679

More details:

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

1-[(4-Methoxyphenyl)sulfonyl]-2-[1-methyl-3-(trifluormethyl)-1H-pyrazol-5-yl]azepan [German] [ACD/IUPAC Name]
1-[(4-Methoxyphenyl)sulfonyl]-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]azepane [ACD/IUPAC Name]
1-[(4-Méthoxyphényl)sulfonyl]-2-[1-méthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]azépane [French] [ACD/IUPAC Name]
1H-Azepine, hexahydro-1-[(4-methoxyphenyl)sulfonyl]-2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
1-(4-METHOXYBENZENESULFONYL)-2-[1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]AZEPANE
1-(4-METHOXYBENZENESULFONYL)-2-[2-METHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]AZEPANE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 515.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 265.8±32.9 °C
Index of Refraction: 1.574
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 427.06
ACD/KOC (pH 5.5): 2657.72
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 427.06
ACD/KOC (pH 7.4): 2657.73
Polar Surface Area: 73 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 302.1±7.0 cm3

Click to predict properties on the Chemicalize site


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