ChemSpider 2D Image | N-[(2R)-1-{[(2S,3S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-oxo-1,4-dihydro-2-quinolinecarboxamide | C43H48N4O6

N-[(2R)-1-{[(2S,3S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-oxo-1,4-dihydro-2-quinolinecarboxamide

  • Molecular FormulaC43H48N4O6
  • Average mass716.864 Da
  • Monoisotopic mass716.357361 Da
  • ChemSpider ID2275688

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Quinolinecarboxamide, N-[(1R)-1-[[[(1S,2S,4S)-4-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]amino]carbonyl]-2-methylpropyl]-1,4-dihydro-4-oxo- [ACD/Index Name]
N-[(2R)-1-{[(2S,3S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-oxo-1,4-dihydro-2-chinolincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-1-{[(2S,3S,5S)-5-{[(2,6-Dimethylphenoxy)acetyl]amino}-3-hydroxy-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-oxo-1,4-dihydro-2-quinolinecarboxamide [ACD/IUPAC Name]
N-[(2R)-1-{[(2S,3S,5S)-5-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-3-hydroxy-1,6-diphényl-2-hexanyl]amino}-3-méthyl-1-oxo-2-butanyl]-4-oxo-1,4-dihydro-2-quinoléinecarboxamide [French] [ACD/IUPAC Name]
4-Hydroxy-quinoline-2-carboxylic acid ((R)-1-{(1S,2S,4S)-1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-ethanoylamino]-2-hydroxy-5-phenyl-pentylcarbamoyl}-2-methyl-propyl)-amide

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

AIDS155416 [DBID]
AIDS-155416 [DBID]
TS-94 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1021.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.3±3.0 kJ/mol
Flash Point: 571.6±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 203.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 4
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23628.05
ACD/KOC (pH 5.5): 46998.59
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23628.05
ACD/KOC (pH 7.4): 46998.59
Polar Surface Area: 146 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 591.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement