ChemSpider 2D Image | 7-[(2-Ethyl-5-nitrophenyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | C15H17N5O6S

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

  • Molecular FormulaC15H17N5O6S
  • Average mass395.390 Da
  • Monoisotopic mass395.089966 Da
  • ChemSpider ID63640679

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-[(2-ethyl-5-nitrophenyl)sulfonyl]-5,6,7,8-tetrahydro-3-methyl- [ACD/Index Name]
7-[(2-Ethyl-5-nitrophenyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-6-carbonsäure [German] [ACD/IUPAC Name]
7-[(2-Ethyl-5-nitrophenyl)sulfonyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid [ACD/IUPAC Name]
Acide 7-[(2-éthyl-5-nitrophényl)sulfonyl]-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: 1.7±0.1 g/cm3
Boiling Point: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.728
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 74.8±7.0 dyne/cm
Molar Volume: 237.9±7.0 cm3

Click to predict properties on the Chemicalize site


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