ChemSpider 2D Image | 7-[4-(Difluoromethoxy)-3,5-dimethylbenzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | C17H18F2N4O4

7-[4-(Difluoromethoxy)-3,5-dimethylbenzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid

  • Molecular FormulaC17H18F2N4O4
  • Average mass380.346 Da
  • Monoisotopic mass380.129608 Da
  • ChemSpider ID63849390

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 7-[4-(difluoromethoxy)-3,5-dimethylbenzoyl]-5,6,7,8-tetrahydro-3-methyl- [ACD/Index Name]
7-[4-(Difluormethoxy)-3,5-dimethylbenzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-6-carbonsäure [German] [ACD/IUPAC Name]
7-[4-(Difluoromethoxy)-3,5-dimethylbenzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-[4-(difluorométhoxy)-3,5-diméthylbenzoyl]-3-méthyl-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylique [French] [ACD/IUPAC 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: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 90.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 253.2±7.0 cm3

Click to predict properties on the Chemicalize site


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