ChemSpider 2D Image | 4-Methyl-N-{(S)-(3-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.0~2,7~]undec-6-en-5-yl]methyl}benzenesulfonamide | C27H32N2O4S

4-Methyl-N-{(S)-(3-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}benzenesulfonamide

  • Molecular FormulaC27H32N2O4S
  • Average mass480.619 Da
  • Monoisotopic mass480.208282 Da
  • ChemSpider ID30658669

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Methyl-N-{(S)-(3-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}benzenesulfonamide [ACD/IUPAC Name]
4-Méthyl-N-{(S)-(3-méthylphényl)[(1R,2S,5R,8S)-1,11,11-triméthyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undéc-6-én-5-yl]méthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
4-Methyl-N-{(S)-(3-methylphenyl)[(1R,2S,5R,8S)-1,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N-[(S)-[(3R,5S,8R,8aS)-3,5,6,7,8,8a-hexahydro-8,9,9-trimethyl-2-oxo-5,8-methano-2H-1,4-benzoxazin-3-yl](3-methylphenyl)methyl]-4-methyl- [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: 646.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 132.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1932.83
ACD/KOC (pH 5.5): 7824.38
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1936.86
ACD/KOC (pH 7.4): 7840.69
Polar Surface Area: 93 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 364.1±7.0 cm3

Click to predict properties on the Chemicalize site


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