ChemSpider 2D Image | (6S,7S,8aS)-6-Ethyl-7-(4-morpholinylcarbonyl)-2-(1H-tetrazol-1-ylacetyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one | C17H25N7O4

(6S,7S,8aS)-6-Ethyl-7-(4-morpholinylcarbonyl)-2-(1H-tetrazol-1-ylacetyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID97094825

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7S,8aS)-6-Ethyl-7-(4-morpholinylcarbonyl)-2-(1H-tetrazol-1-ylacetyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-on [German] [ACD/IUPAC Name]
(6S,7S,8aS)-6-Ethyl-7-(4-morpholinylcarbonyl)-2-(1H-tetrazol-1-ylacetyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one [ACD/IUPAC Name]
(6S,7S,8aS)-6-Éthyl-7-(4-morpholinylcarbonyl)-2-[2-(1H-tétrazol-1-yl)acétyl]hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazin-4(1H)-one, 6-ethylhexahydro-7-(4-morpholinylcarbonyl)-2-[2-(1H-tetrazol-1-yl)acetyl]-, (6S,7S,8aS)- [ACD/Index Name]
rel-(6S,7S,8aS)-6-ethyl-7-(4-morpholinylcarbonyl)-2-(1H-tetrazol-1-ylacetyl)hexahydropyrrolo[1,2-a]pyrazin-4(1H)-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 704.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.6±35.7 °C
Index of Refraction: 1.739
Molar Refractivity: 99.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.67
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 114 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 246.9±7.0 cm3

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