Found 3 results

Search term: BDIROGJSONMMGD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Isopropyl (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C29H32ClNO6

Isopropyl (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID62552696

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7S)-4-(3-Chloro-5-éthoxy-4-hydroxyphényl)-7-(4-méthoxyphényl)-2-méthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,4,5,6,7,8-hexahydro-7-(4-methoxyphenyl)-2-methyl-5-oxo-, 1-methylethyl ester, (4R,7S)- [ACD/Index Name]
Isopropyl (4R,7S)-4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Isopropyl-(4R,7S)-4-(3-chlor-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5340.67
ACD/KOC (pH 5.5): 16205.23
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4885.66
ACD/KOC (pH 7.4): 14824.61
Polar Surface Area: 94 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


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