ChemSpider 2D Image | N,N,N'-Trimethyl-N'-{(4aR,6S,7aS)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-1H-cyclopenta[c]pyridin-6-yl}sulfuric diamide | C15H27N7O3S

N,N,N'-Trimethyl-N'-{(4aR,6S,7aS)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-1H-cyclopenta[c]pyridin-6-yl}sulfuric diamide

  • Molecular FormulaC15H27N7O3S
  • Average mass385.485 Da
  • Monoisotopic mass385.189606 Da
  • ChemSpider ID114998579

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Diamide N,N,N'-triméthyl-N'-{(4aR,6S,7aS)-2-[3-(1H-tétrazol-1-yl)propanoyl]octahydro-1H-cyclopenta[c]pyridin-6-yl}sulfurique [French] [ACD/IUPAC Name]
N,N,N'-Trimethyl-N'-{(4aR,6S,7aS)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-1H-cyclopenta[c]pyridin-6-yl}schwefeldiamid [German] [ACD/IUPAC Name]
N,N,N'-Trimethyl-N'-{(4aR,6S,7aS)-2-[3-(1H-tetrazol-1-yl)propanoyl]octahydro-1H-cyclopenta[c]pyridin-6-yl}sulfuric diamide [ACD/IUPAC Name]
Sulfamide, N,N,N'-trimethyl-N'-[(4aR,6S,7aS)-octahydro-2-[1-oxo-3-(1H-tetrazol-1-yl)propyl]-1H-cyclopenta[c]pyridin-6-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 99.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.83
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.83
Polar Surface Area: 113 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 260.8±7.0 cm3

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