ChemSpider 2D Image | 2-{7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N,N-dimethylacetamide | C14H20N6O5S

2-{7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N,N-dimethylacetamide

  • Molecular FormulaC14H20N6O5S
  • Average mass384.411 Da
  • Monoisotopic mass384.121582 Da
  • ChemSpider ID64804278

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-2(3H)-acetamide, 7-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-5,6,7,8-tetrahydro-N,N-dimethyl-3-oxo- [ACD/Index Name]
2-{7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-{7-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N,N-dimethylacetamide [ACD/IUPAC Name]
2-{7-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-3-oxo-5,6,7,8-tétrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N,N-diméthylacétamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 582.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.1±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.56
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.57
Polar Surface Area: 128 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 242.9±7.0 cm3

Click to predict properties on the Chemicalize site


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