ChemSpider 2D Image | N-[2-(4-Butyl-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoethyl]methanesulfonamide | C25H41N3O4S

N-[2-(4-Butyl-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoethyl]methanesulfonamide

  • Molecular FormulaC25H41N3O4S
  • Average mass479.676 Da
  • Monoisotopic mass479.281769 Da
  • ChemSpider ID77203915

More details:

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

Methanesulfonamide, N-[2-(4-butyl-2,3,4,5,7,8,9,10-octahydrospiro[6H-1,4-benzoxaazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoethyl]- [ACD/Index Name]
N-[2-(4-Butyl-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoethyl]methanesulfonamide [ACD/IUPAC Name]
N-[2-(4-Butyl-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoéthyl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[2-(4-Butyl-2,3,4,5,7,8,9,10-octahydro-1'H-spiro[1,4-benzoxazacyclododecine-6,4'-piperidin]-1'-yl)-2-oxoethyl]methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.570
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 6.38
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 48.35
ACD/KOC (pH 7.4): 283.03
Polar Surface Area: 87 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 404.8±5.0 cm3

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