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Search term: JJRPVOCGGUAZIT-LKSLQULUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide | C29H35F2N3O3

(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide

  • Molecular FormulaC29H35F2N3O3
  • Average mass511.603 Da
  • Monoisotopic mass511.264648 Da
  • ChemSpider ID61711230

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-Cyclohexyl-2-{5,6-difluor-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamid [German] [ACD/IUPAC Name]
(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[(R)-methoxy(phenyl)methyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acetamide [ACD/IUPAC Name]
(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[(R)-méthoxy(phényl)méthyl]-1H-benzimidazol-1-yl}-N-(trans-4-hydroxycyclohexyl)acétamide [French] [ACD/IUPAC Name]
1H-Benzimidazole-1-acetamide, α-cyclohexyl-5,6-difluoro-N-(trans-4-hydroxycyclohexyl)-2-[(R)-methoxyphenylmethyl]-, (αS)- [ACD/Index Name]
9MY

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 384.0±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.23
ACD/BCF (pH 5.5): 5542.06
ACD/KOC (pH 5.5): 16641.79
ACD/LogD (pH 7.4): 5.23
ACD/BCF (pH 7.4): 5547.03
ACD/KOC (pH 7.4): 16656.71
Polar Surface Area: 76 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 382.4±7.0 cm3

Click to predict properties on the Chemicalize site


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