ChemSpider 2D Image | 3-[5-(1,4-Dithiepan-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide | C16H26N4O2S2

3-[5-(1,4-Dithiepan-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide

  • Molecular FormulaC16H26N4O2S2
  • Average mass370.533 Da
  • Monoisotopic mass370.149719 Da
  • ChemSpider ID35077463

More details:

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

3-[5-(1,4-Dithiepan-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamid [German] [ACD/IUPAC Name]
3-[5-(1,4-Dithiepan-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide [ACD/IUPAC Name]
3-[5-(1,4-Dithiépan-6-yl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-diméthylpropanamide [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrazine-2-propanamide, 5-(1,4-dithiepan-6-yl)-4,5,6,7-tetrahydro-β-hydroxy-N,N-dimethyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 607.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.1±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.84
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.28
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.60
Polar Surface Area: 112 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 263.6±7.0 cm3

Click to predict properties on the Chemicalize site


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