Found 1 result

Search term: JHVYRIYZUSZRSR-KHOMTPLRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | trans-4-({(2S)-2-Cyclohexyl-2-[2-(2,6-dimethoxy-3-pyridinyl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexanecarboxylic acid | C29H35FN4O5

trans-4-({(2S)-2-Cyclohexyl-2-[2-(2,6-dimethoxy-3-pyridinyl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexanecarboxylic acid

  • Molecular FormulaC29H35FN4O5
  • Average mass538.610 Da
  • Monoisotopic mass538.259155 Da
  • ChemSpider ID61711224

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acide trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-diméthoxy-3-pyridinyl)-5-fluoro-1H-benzimidazol-1-yl]acétyl}amino)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxy-3-pyridinyl)-5-fluoro-1H-benzimidazol-1-yl]acetyl]amino]-, trans- [ACD/Index Name]
trans-4-({(2S)-2-Cyclohexyl-2-[2-(2,6-dimethoxy-3-pyridinyl)-5-fluor-1H-benzimidazol-1-yl]acetyl}amino)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-({(2S)-2-Cyclohexyl-2-[2-(2,6-dimethoxy-3-pyridinyl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexanecarboxylic acid [ACD/IUPAC Name]
9NJ
Trans-4-({(2s)-2-Cyclohexyl-2-[2-(2,6-Dimethoxypyridin-3-Yl)-5-Fluoro-1h-Benzimidazol-1-Yl]acetyl}amino)cyclohexane-1-Carboxylic Acid

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: 1.651
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.07
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 693.78
ACD/KOC (pH 5.5): 2135.18
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 10.98
ACD/KOC (pH 7.4): 33.81
Polar Surface Area: 116 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 387.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement