ChemSpider 2D Image | N-(2-Hydroxyethyl)-N-(2-{[(2S,4R)-4-isopropyl-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-4-methoxybenzenesulfonamide | C32H42N4O8S

N-(2-Hydroxyethyl)-N-(2-{[(2S,4R)-4-isopropyl-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-4-methoxybenzenesulfonamide

  • Molecular FormulaC32H42N4O8S
  • Average mass642.763 Da
  • Monoisotopic mass642.272339 Da
  • ChemSpider ID5102748

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[2-[[(2S,4R)-6-[[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl]-3,4-dihydro-4-(1-methylethyl)-2H-pyran-2-yl]oxy]ethyl]-N-(2-hydroxyethyl)-4-methoxy- [ACD/Index Name]
N-(2-Hydroxyethyl)-N-(2-{[(2S,4R)-4-isopropyl-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-N-(2-{[(2S,4R)-4-isopropyl-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-pipéridinyl]carbonyl}-3,4-dihydro-2H-pyran-2-yl]oxy}éthyl)-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-N-(2-{[(2S,4R)-4-isopropyl-6-{[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]carbonyl}-3,4-dihydro-2H-pyran-2-yl]oxy}ethyl)-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]

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

DHPC1_001902 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 168.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.40
ACD/KOC (pH 5.5): 1341.97
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.39
ACD/KOC (pH 7.4): 1341.95
Polar Surface Area: 146 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 467.1±5.0 cm3

Click to predict properties on the Chemicalize site


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