Found 1 result

Search term: BAGJAPIDXZLKQM-MHZLTWQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-N,2-Dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-1H-benzimidazol-1-yl}acetamide | C29H32F2N6O

(2S)-N,2-Dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-1H-benzimidazol-1-yl}acetamide

  • Molecular FormulaC29H32F2N6O
  • Average mass518.601 Da
  • Monoisotopic mass518.260559 Da
  • ChemSpider ID61711236

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N,2-Dicyclohexyl-2-{5,6-difluor-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-1H-benzimidazol-1-yl}acetamid [German] [ACD/IUPAC Name]
(2S)-N,2-Dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-1H-benzimidazol-1-yl}acetamide [ACD/IUPAC Name]
(2S)-N,2-Dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-1H-benzimidazol-1-yl}acétamide [French] [ACD/IUPAC Name]
1H-Benzimidazole-1-acetamide, N,α-dicyclohexyl-5,6-difluoro-2-[6-(1H-pyrazol-1-yl)-3-pyridinyl]-, (αS)- [ACD/Index Name]
(2s)-N,2-Dicyclohexyl-2-{5,6-Difluoro-2-[6-(1h-Pyrazol-1-Yl)pyridin-3-Yl]-1h-Benzimidazol-1-Yl}acetamide
9LY

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: 1.689
Molar Refractivity: 141.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15785.57
ACD/KOC (pH 5.5): 35211.79
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15787.32
ACD/KOC (pH 7.4): 35215.69
Polar Surface Area: 78 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 371.2±7.0 cm3

Click to predict properties on the Chemicalize site


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