Found 216 results

Search term: MF = 'C_{30}H_{39}N_{3}O_{7}'
ChemSpider 2D Image | Ethyl 13-(3-methoxypropyl)-4,10-dioxo-8-(phenylacetyl)-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylate | C30H39N3O7

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

  • Molecular FormulaC30H39N3O7
  • Average mass553.647 Da
  • Monoisotopic mass553.278809 Da
  • ChemSpider ID76828532

More details:

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

13-(3-Méthoxypropyl)-4,10-dioxo-8-(2-phénylacétyl)-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)-4,10-dioxo-8-(2-phenylacetyl)-, ethyl ester [ACD/Index Name]
Ethyl 13-(3-methoxypropyl)-4,10-dioxo-8-(phenylacetyl)-2-oxa-5,8,11-triazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-13-carboxylate [ACD/IUPAC Name]
Ethyl-13-(3-methoxypropyl)-4,10-dioxo-8-(phenylacetyl)-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, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 804.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.1±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.79
ACD/KOC (pH 5.5): 450.59
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.79
ACD/KOC (pH 7.4): 450.59
Polar Surface Area: 123 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

Click to predict properties on the Chemicalize site


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