ChemSpider 2D Image | N-[1-(3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1-oxo-2-propanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide | C33H35N5O4

N-[1-(3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1-oxo-2-propanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID169257

More details:

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

Ergoline-8-carboxamide, 9,10-didehydro-N-[2-[hexahydro-1,4-dioxo-3-(phenylmethyl)pyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-methyl-2-oxoethyl]-6-methyl- [ACD/Index Name]
N-[1-(3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1-oxo-2-propanyl]-6-methyl-9,10-didehydroergolin-8-carboxamid [German] [ACD/IUPAC Name]
N-[1-(3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1-oxo-2-propanyl]-6-methyl-9,10-didehydroergoline-8-carboxamide [ACD/IUPAC Name]
N-[1-(3-Benzyl-1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-1-oxo-2-propanyl]-6-méthyl-9,10-didéhydroergoline-8-carboxamide [French] [ACD/IUPAC Name]
115464-33-0 [RN]
LAPPL
N-(N-(Lysergyl)-ala-)-phe-pro-lactam
N-(N-(Lysergyl)-alanyl)-phenylalanyl-proline lactam

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

Density: 1.4±0.1 g/cm3
Boiling Point: 875.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.5±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 158.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 16.45
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 58.02
ACD/KOC (pH 7.4): 543.39
Polar Surface Area: 106 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 405.6±5.0 cm3

Click to predict properties on the Chemicalize site


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