ChemSpider 2D Image | N-(Abieta-2,8,11,13-tetraen-18-yl)-4-methylbenzenesulfonamide | C27H35NO2S

N-(Abieta-2,8,11,13-tetraen-18-yl)-4-methylbenzenesulfonamide

  • Molecular FormulaC27H35NO2S
  • Average mass437.637 Da
  • Monoisotopic mass437.238861 Da
  • ChemSpider ID30651968

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[(1R,4aS,10aR)-1,4,4a,9,10,10a-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]-4-methyl- [ACD/Index Name]
N-(Abieta-2,8,11,13-tetraen-18-yl)-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-(Abiéta-2,8,11,13-tétraén-18-yl)-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(Abieta-2,8,11,13-tetraen-18-yl)-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.0±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 129.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.05
ACD/LogD (pH 5.5): 7.20
ACD/BCF (pH 5.5): 175965.72
ACD/KOC (pH 5.5): 197812.48
ACD/LogD (pH 7.4): 7.20
ACD/BCF (pH 7.4): 175944.67
ACD/KOC (pH 7.4): 197788.81
Polar Surface Area: 55 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 397.1±3.0 cm3

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