Found 37 results

Search term: MF = 'C_{21}H_{38}N_{6}O_{4}'
ChemSpider 2D Image | 2-[(5R,8aS)-5-Isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-[2-(2-methyl-1-imidazolidinyl)ethyl]acetamide | C21H38N6O4

2-[(5R,8aS)-5-Isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-[2-(2-methyl-1-imidazolidinyl)ethyl]acetamide

  • Molecular FormulaC21H38N6O4
  • Average mass438.564 Da
  • Monoisotopic mass438.295441 Da
  • ChemSpider ID111315397

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-[(5R,8aS)-5-Isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-[2-(2-methyl-1-imidazolidinyl)ethyl]acetamid [German] [ACD/IUPAC Name]
2-[(5R,8aS)-5-Isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-[2-(2-methyl-1-imidazolidinyl)ethyl]acetamide [ACD/IUPAC Name]
2-[(5R,8aS)-5-Isobutyl-7-(2-méthoxyéthyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-[2-(2-méthyl-1-imidazolidinyl)éthyl]acétamide [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-2(3H)-acetamide, hexahydro-7-(2-methoxyethyl)-N-[2-(2-methyl-1-imidazolidinyl)ethyl]-5-(2-methylpropyl)-3,6-dioxo-, (5R,8aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 118.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 357.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement