ChemSpider 2D Image | 2-(3-Oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide | C18H24N4O5

2-(3-Oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

  • Molecular FormulaC18H24N4O5
  • Average mass376.407 Da
  • Monoisotopic mass376.174683 Da
  • ChemSpider ID21947855

More details:






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

2-(3-Oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-(3-Oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-(3,4,5-trimethoxyphenyl)acetamide [ACD/IUPAC Name]
2-(3-Oxo-6,7,8,9-tétrahydro-3H-[1,2,4]triazolo[4,3-a]azépin-2(5H)-yl)-N-(3,4,5-triméthoxyphényl)acétamide [French] [ACD/IUPAC Name]
3H-1,2,4-Triazolo[4,3-a]azepine-2(5H)-acetamide, 6,7,8,9-tetrahydro-3-oxo-N-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]
MFCD10611750

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 97.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 37.60
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.75
Polar Surface Area: 93 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

Click to predict properties on the Chemicalize site






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