ChemSpider 2D Image | N-(2-{[4-(1-Acetyl-1H-indol-3-yl)-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide | C37H49N3O12S

N-(2-{[4-(1-Acetyl-1H-indol-3-yl)-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC37H49N3O12S
  • Average mass759.863 Da
  • Monoisotopic mass759.303711 Da
  • ChemSpider ID3843260

More details:

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

Benzenesulfonamide, N-[2-[[4-(1-acetyl-1H-indol-3-yl)-3,4-dihydro-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylcarbonyl)-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxy- [ACD/Index Name]
N-(2-{[4-(1-Acetyl-1H-indol-3-yl)-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-(2-{[4-(1-Acétyl-1H-indol-3-yl)-6-(1,4,7,10-tétraoxa-13-azacyclopentadécan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy}éthyl)-N-(2-hydroxyéthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-{[4-(1-Acetyl-1H-indol-3-yl)-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylcarbonyl)-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-N-(2-hydroxyethyl)-4-methoxybenzolsulfonamid [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: 942.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.7±3.0 kJ/mol
Flash Point: 524.0±37.1 °C
Index of Refraction: 1.593
Molar Refractivity: 193.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.85
ACD/KOC (pH 5.5): 165.79
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.85
ACD/KOC (pH 7.4): 165.79
Polar Surface Area: 173 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 572.1±7.0 cm3

Click to predict properties on the Chemicalize site


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