ChemSpider 2D Image | N-(2-Ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(4-quinazolinyl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide | C31H43N5O4S

N-(2-Ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(4-quinazolinyl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide

  • Molecular FormulaC31H43N5O4S
  • Average mass581.769 Da
  • Monoisotopic mass581.303589 Da
  • ChemSpider ID26328946

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-[(5R)-2-(4-quinazolinyl)-2,7-diazaspiro[4.5]dec-7-yl]propyl]-2,6-dimethyl- [ACD/Index Name]
N-(2-Ethoxyethyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(4-quinazolinyl)-2,7-diazaspiro[4.5]dec-7-yl]propyl}-2,6-dimethylbenzenesulfonamide [ACD/IUPAC Name]
N-(2-Éthoxyéthyl)-N-{(2S)-2-hydroxy-3-[(5R)-2-(4-quinazolinyl)-2,7-diazaspiro[4.5]déc-7-yl]propyl}-2,6-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Ethoxyethyl)-N-{(2s)-2-Hydroxy-3-[(5r)-2-(Quinazolin-4-Yl)-2,7-Diazaspiro[4.5]dec-7-Yl]propyl}-2,6-Dimethylbenzenesulfonamide
N-{(2S)-3-[(5R)-2-(4-Chinazolinyl)-2,7-diazaspiro[4.5]dec-7-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]
SM9

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

Density: 1.3±0.1 g/cm3
Boiling Point: 756.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.1±35.7 °C
Index of Refraction: 1.647
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 101.08
ACD/KOC (pH 7.4): 323.10
Polar Surface Area: 107 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 448.7±5.0 cm3

Click to predict properties on the Chemicalize site


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