ChemSpider 2D Image | 2-Methyl-2-[4-(2-{3-methyl-1-[(~2~H_7_)-2-propanyl]-1H-1,2,4-triazol-5-yl}-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)-1H-pyrazol-1-yl]propanamide | C24H21D7N8O2

2-Methyl-2-[4-(2-{3-methyl-1-[(2H7)-2-propanyl]-1H-1,2,4-triazol-5-yl}-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)-1H-pyrazol-1-yl]propanamide

  • Molecular FormulaC24H21D7N8O2
  • Average mass467.575 Da
  • Monoisotopic mass467.277466 Da
  • ChemSpider ID58779923

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-1-acetamide, 4-[5,6-dihydro-2-[3-methyl-1-[1-(methyl-d3)ethyl-1,2,2,2-d4]-1H-1,2,4-triazol-5-yl]imidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-dimethyl- [ACD/Index Name]
2-Methyl-2-[4-(2-{3-methyl-1-[(2H7)-2-propanyl]-1H-1,2,4-triazol-5-yl}-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)-1H-pyrazol-1-yl]propanamid [German] [ACD/IUPAC Name]
2-Methyl-2-[4-(2-{3-methyl-1-[(2H7)-2-propanyl]-1H-1,2,4-triazol-5-yl}-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl)-1H-pyrazol-1-yl]propanamide [ACD/IUPAC Name]
2-Méthyl-2-[4-(2-{3-méthyl-1-[(2H7)-2-propanyl]-1H-1,2,4-triazol-5-yl}-5,6-dihydroimidazo[1,2-d][1,4]benzoxazépin-9-yl)-1H-pyrazol-1-yl]propanamide [French] [ACD/IUPAC 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: 783.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 427.5±35.7 °C
Index of Refraction: 1.709
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.68
ACD/KOC (pH 5.5): 175.87
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.86
ACD/KOC (pH 7.4): 179.10
Polar Surface Area: 119 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 328.7±7.0 cm3

Click to predict properties on the Chemicalize site


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