ChemSpider 2D Image | 14-(2-{[(5-Ethyl-3-pyridinyl)methyl]amino}-1-hydroxyethyl)-18-fluoro-11-(2-propyn-1-yl)-2-oxa-7,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-8,12-dione | C30H39FN4O4

14-(2-{[(5-Ethyl-3-pyridinyl)methyl]amino}-1-hydroxyethyl)-18-fluoro-11-(2-propyn-1-yl)-2-oxa-7,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-8,12-dione

  • Molecular FormulaC30H39FN4O4
  • Average mass538.654 Da
  • Monoisotopic mass538.295532 Da
  • ChemSpider ID8477799

More details:

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

14-(2-{[(5-Ethyl-3-pyridinyl)methyl]amino}-1-hydroxyethyl)-18-fluor-11-(2-propin-1-yl)-2-oxa-7,13-diazabicyclo[14.3.1]icosa-1(20),16,18-trien-8,12-dion [German] [ACD/IUPAC Name]
14-(2-{[(5-Ethyl-3-pyridinyl)methyl]amino}-1-hydroxyethyl)-18-fluoro-11-(2-propyn-1-yl)-2-oxa-7,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-8,12-dione [ACD/IUPAC Name]
14-(2-{[(5-Éthyl-3-pyridinyl)méthyl]amino}-1-hydroxyéthyl)-18-fluoro-11-(2-propyn-1-yl)-2-oxa-7,13-diazabicyclo[14.3.1]icosa-1(20),16,18-triène-8,12-dione [French] [ACD/IUPAC Name]
2-Oxa-7,13-diazabicyclo[14.3.1]eicosa-1(20),16,18-triene-8,12-dione, 14-[2-[[(5-ethyl-3-pyridinyl)methyl]amino]-1-hydroxyethyl]-18-fluoro-11-(2-propyn-1-yl)- [ACD/Index 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: 810.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.44
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 33.11
ACD/KOC (pH 7.4): 353.74
Polar Surface Area: 113 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 477.0±3.0 cm3

Click to predict properties on the Chemicalize site


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