Found 45 results

Search term: MF = 'C_{29}H_{28}ClF_{3}N_{4}O_{2}'
ChemSpider 2D Image | (2R)-N-{4-Chloro-3-[1-methyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl}-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydro-8-quinolinyl]propanamide | C29H28ClF3N4O2

(2R)-N-{4-Chloro-3-[1-methyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl}-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydro-8-quinolinyl]propanamide

  • Molecular FormulaC29H28ClF3N4O2
  • Average mass557.006 Da
  • Monoisotopic mass556.185303 Da
  • ChemSpider ID76779719

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R)-N-{4-Chlor-3-[1-methyl-5-(trifluormethoxy)-1H-benzimidazol-2-yl]phenyl}-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydro-8-chinolinyl]propanamid [German] [ACD/IUPAC Name]
(2R)-N-{4-Chloro-3-[1-méthyl-5-(trifluorométhoxy)-1H-benzimidazol-2-yl]phényl}-2-[(5R,8S)-2,5-diméthyl-5,6,7,8-tétrahydro-8-quinoléinyl]propanamide [French] [ACD/IUPAC Name]
(2R)-N-{4-Chloro-3-[1-methyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl}-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydro-8-quinolinyl]propanamide [ACD/IUPAC Name]
8-Quinolineacetamide, N-[4-chloro-3-[1-methyl-5-(trifluoromethoxy)-1H-benzimidazol-2-yl]phenyl]-5,6,7,8-tetrahydro-α,2,5-trimethyl-, (αR,5R,8S)- [ACD/Index Name]

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: 1.624
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 7587.08
ACD/KOC (pH 5.5): 9607.24
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 97554.61
ACD/KOC (pH 7.4): 123529.76
Polar Surface Area: 69 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 404.7±7.0 cm3

Click to predict properties on the Chemicalize site


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