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Search term: DUGIQUVAQZHWSE-MHZLTWQESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid | C31H26F2N4O3S

4-{[(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid

  • Molecular FormulaC31H26F2N4O3S
  • Average mass572.625 Da
  • Monoisotopic mass572.169373 Da
  • ChemSpider ID61711227

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(2S)-2-Cyclohexyl-2-{5,6-difluor-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoesäure [German] [ACD/IUPAC Name]
4-{[(2S)-2-Cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phényl]-1H-benzimidazol-1-yl}acétyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2S)-2-cyclohexyl-2-[5,6-difluoro-2-[4-(2-thiazolyl)phenyl]-1H-benzimidazol-1-yl]acetyl]amino]- [ACD/Index Name]
9N7

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: 1.700
Molar Refractivity: 153.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 6.04
ACD/BCF (pH 5.5): 10713.09
ACD/KOC (pH 5.5): 10783.71
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 321.96
ACD/KOC (pH 7.4): 324.08
Polar Surface Area: 125 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 396.7±7.0 cm3

Click to predict properties on the Chemicalize site


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