ChemSpider 2D Image | (1R,17S)-7-Fluoro-20-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.0~5,10~]icosa-5,7,9-triene-4,15-dione | C24H29FN6O4

(1R,17S)-7-Fluoro-20-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triene-4,15-dione

  • Molecular FormulaC24H29FN6O4
  • Average mass484.523 Da
  • Monoisotopic mass484.223419 Da
  • ChemSpider ID103857107

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,17S)-7-Fluor-20-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-trien-4,15-dion [German] [ACD/IUPAC Name]
(1R,17S)-7-Fluoro-20-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triene-4,15-dione [ACD/IUPAC Name]
(1R,17S)-7-Fluoro-20-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triène-4,15-dione [French] [ACD/IUPAC Name]
7,10-Imino-1,4,12-benzoxadiazacyclopentadecine-5,13(2H,6H)-dione, 15-fluoro-3,4,7,8,9,10,11,12-octahydro-18-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)carbonyl]-, (7S,10R)- [ACD/Index Name]
rel-(1R,17S)-7-fluoro-20-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-11-oxa-3,14,20-triazatricyclo[15.2.1.05,10]icosa-5,7,9-triene-4,15-dione formate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.86
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.48
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.49
Polar Surface Area: 118 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 317.6±7.0 cm3

Click to predict properties on the Chemicalize site


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