ChemSpider 2D Image | (5E)-8-Amino-16-chloro-11-phenyl-3-[3-(trifluoromethyl)phenyl]-2-thia-3,10,13-triazabicyclo[13.3.1]nonadeca-1(19),5,15,17-tetraene-9,14-dione 2,2-dioxide | C28H26ClF3N4O4S

(5E)-8-Amino-16-chloro-11-phenyl-3-[3-(trifluoromethyl)phenyl]-2-thia-3,10,13-triazabicyclo[13.3.1]nonadeca-1(19),5,15,17-tetraene-9,14-dione 2,2-dioxide

  • Molecular FormulaC28H26ClF3N4O4S
  • Average mass607.044 Da
  • Monoisotopic mass606.131531 Da
  • ChemSpider ID104749361

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E) 2,2-Dioxyde de 8-amino-16-chloro-11-phényl-3-[3-(trifluorométhyl)phényl]-2-thia-3,10,13-triazabicyclo[13.3.1]nonadéca-1(19),5,15,17-tétraène-9,14-dione [French] [ACD/IUPAC Name]
(5E)-8-Amino-16-chlor-11-phenyl-3-[3-(trifluormethyl)phenyl]-2-thia-3,10,13-triazabicyclo[13.3.1]nonadeca-1(19),5,15,17-tetraen-9,14-dion-2,2-dioxid [German] [ACD/IUPAC Name]
(5E)-8-Amino-16-chloro-11-phenyl-3-[3-(trifluoromethyl)phenyl]-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]
2-Thia-3,10,13-triazabicyclo[13.3.1]nonadeca-1(19),5,15,17-tetraene-9,14-dione, 8-amino-16-chloro-11-phenyl-3-[3-(trifluoromethyl)phenyl]-, 2,2-dioxide, (5E)- [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: 1.573
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 9.76
ACD/KOC (pH 5.5): 78.83
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 140.99
ACD/KOC (pH 7.4): 1138.78
Polar Surface Area: 130 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 453.3±3.0 cm3

Click to predict properties on the Chemicalize site


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