ChemSpider 2D Image | N-{2-[9-(2-Isopropoxybenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}methanesulfonamide | C22H36N2O4S

N-{2-[9-(2-Isopropoxybenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}methanesulfonamide

  • Molecular FormulaC22H36N2O4S
  • Average mass424.597 Da
  • Monoisotopic mass424.239563 Da
  • ChemSpider ID71280350

More details:

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

Methanesulfonamide, N-[2-[9-[[2-(1-methylethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl]- [ACD/Index Name]
N-{2-[9-(2-Isopropoxybenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}methanesulfonamide [ACD/IUPAC Name]
N-{2-[9-(2-Isopropoxybenzyl)-1-oxa-9-azaspiro[5.5]undéc-4-yl]éthyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{2-[9-(2-Isopropoxybenzyl)-1-oxa-9-azaspiro[5.5]undec-4-yl]ethyl}methansulfonamid [German] [ACD/IUPAC Name]
N-[2-[9-[(2-propan-2-yloxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethyl]methanesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 282.8±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 5.57
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 31.47
ACD/KOC (pH 7.4): 159.71
Polar Surface Area: 76 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 360.6±5.0 cm3

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