ChemSpider 2D Image | N-(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-2,3-dihydro-1-benzofuran-5-yl)-1-chloromethanesulfonamide | C31H45ClN2O5S

N-(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-2,3-dihydro-1-benzofuran-5-yl)-1-chloromethanesulfonamide

  • Molecular FormulaC31H45ClN2O5S
  • Average mass593.217 Da
  • Monoisotopic mass592.273743 Da
  • ChemSpider ID111291258

More details:

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

Methanesulfonamide, N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-2,3-dihydro-5-benzofuranyl]-1-chloro- [ACD/Index Name]
N-(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-2,3-dihydro-1-benzofuran-5-yl)-1-chlormethansulfonamid [German] [ACD/IUPAC Name]
N-(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-2,3-dihydro-1-benzofuran-5-yl)-1-chloromethanesulfonamide [ACD/IUPAC Name]
N-(2-Butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-2,3-dihydro-1-benzofuran-5-yl)-1-chlorométhanesulfonamide [French] [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: 687.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.8±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 162.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 61.88
ACD/KOC (pH 5.5): 91.68
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 473.20
ACD/KOC (pH 7.4): 701.12
Polar Surface Area: 93 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 505.4±3.0 cm3

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