Found 1 result

Search term: 78443360 (Found by CSID)
ChemSpider 2D Image | (1R,4R,11R)-4-Benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone | C25H35N3O5S2

(1R,4R,11R)-4-Benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone

  • Molecular FormulaC25H35N3O5S2
  • Average mass521.693 Da
  • Monoisotopic mass521.201782 Da
  • ChemSpider ID78443360

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,4R,11R)-4-Benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecan-3,6,10,16-tetron [German] [ACD/IUPAC Name]
(1R,4R,11R)-4-Benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone [ACD/IUPAC Name]
(1R,4R,11R)-4-Benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadécane-3,6,10,16-tétrone [French] [ACD/IUPAC Name]
Sunshinamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 866.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.0±3.0 kJ/mol
Flash Point: 478.0±34.3 °C
Index of Refraction: 1.537
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.56
ACD/KOC (pH 5.5): 1634.63
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.56
ACD/KOC (pH 7.4): 1634.62
Polar Surface Area: 164 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 445.1±3.0 cm3

Click to predict properties on the Chemicalize site


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