ChemSpider 2D Image | 1-(1-{[(2S,3R,4R)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-6-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one | C36H44N4O8

1-(1-{[(2S,3R,4R)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-6-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID5103162
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

1-(1-{[(2S,3R,4R)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-6-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-(1-{[(2S,3R,4R)-4-(1-Acetyl-1H-indol-3-yl)-2-ethoxy-3-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}-3,4-dihydro-2H-pyran-6-yl]carbonyl}-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-(1-{[(2S,3R,4R)-4-(1-Acétyl-1H-indol-3-yl)-2-éthoxy-3-{2-[2-(2-hydroxyéthoxy)éthoxy]éthyl}-3,4-dihydro-2H-pyran-6-yl]carbonyl}-4-pipéridinyl)-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1-[1-[[(2S,3R,4R)-4-(1-acetyl-1H-indol-3-yl)-2-ethoxy-3,4-dihydro-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2H-pyran-6-yl]carbonyl]-4-piperidinyl]-1,3-dihydro- [ACD/Index Name]

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

DHPC1_002631 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 176.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.81
ACD/KOC (pH 5.5): 579.09
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.81
ACD/KOC (pH 7.4): 579.08
Polar Surface Area: 132 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 490.1±7.0 cm3

Click to predict properties on the Chemicalize site






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