ChemSpider 2D Image | N-(2-Ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)propyl]-2,6-dimethylbenzenesulfonamide | C28H38N2O7S

N-(2-Ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)propyl]-2,6-dimethylbenzenesulfonamide

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID26334980

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(2S)-3-(3,4-dihydro-6-hydroxy-4-oxospiro[2H-1-benzopyran-2,3'-piperidin]-1'-yl)-2-hydroxypropyl]-N-(2-ethoxyethyl)-2,6-dimethyl- [ACD/Index Name]
N-(2-Ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)propyl]-2,6-dimethylbenzenesulfonamide [ACD/IUPAC Name]
N-(2-Éthoxyéthyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)propyl]-2,6-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxo-3,4-dihydro-1'H-spiro[chromene-2,3'-piperidin]-1'-yl)propyl]-2,6-dimethylbenzolsulfonamid [German] [ACD/IUPAC 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: 735.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.6±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 9.96
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 79.81
ACD/KOC (pH 7.4): 340.02
Polar Surface Area: 125 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

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