ChemSpider 2D Image | (5'E)-10'-Cycloheptyl-18'-fluoro-9'H,14'H-spiro[azepane-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide | C27H39FN4O4S

(5'E)-10'-Cycloheptyl-18'-fluoro-9'H,14'H-spiro[azepane-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide

  • Molecular FormulaC27H39FN4O4S
  • Average mass534.686 Da
  • Monoisotopic mass534.267578 Da
  • ChemSpider ID107357816

  • Double-bond stereo - Double-bond stereo

More details:

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

(5'E)-10'-Cycloheptyl-18'-fluoro-9'H,14'H-spiro[azepane-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione 2',2'-dioxide [ACD/IUPAC Name]
Spiro[4H-azepine-4,8'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene]-9',14'-dione, 10'-cycloheptyl-18'-fluoro-1,2,3,5,6,7-hexahydro-, 2',2'-dioxide, (5'E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.89
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 116 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 416.0±5.0 cm3

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