ChemSpider 2D Image | Ethyl 13-(3-methoxypropyl)-8-[(5-methyl-2-pyrazinyl)carbonyl]-4,10-dioxo-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylate | C28H37N5O7

Ethyl 13-(3-methoxypropyl)-8-[(5-methyl-2-pyrazinyl)carbonyl]-4,10-dioxo-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylate

  • Molecular FormulaC28H37N5O7
  • Average mass555.623 Da
  • Monoisotopic mass555.269287 Da
  • ChemSpider ID76830312

More details:






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

13-(3-Méthoxypropyl)-8-[(5-méthyl-2-pyrazinyl)carbonyl]-4,10-dioxo-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadéca-1(19),15,17-triène-13-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylic acid, 13-(3-methoxypropyl)-8-[(5-methyl-2-pyrazinyl)carbonyl]-4,10-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 13-(3-methoxypropyl)-8-[(5-methyl-2-pyrazinyl)carbonyl]-4,10-dioxo-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylate [ACD/IUPAC Name]
Ethyl-13-(3-methoxypropyl)-8-[(5-methyl-2-pyrazinyl)carbonyl]-4,10-dioxo-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-13-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 810.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.7±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 144.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -1.34
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.06
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.06
Polar Surface Area: 149 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

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