ChemSpider 2D Image | (5S)-5-{[2-(4-Carboxyphenyl)ethyl][2-(2-{[3-chloro-4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}-5,6,7,8-tetrahydro-2-quinolinecarboxylic acid | C41H36ClF3N2O5

(5S)-5-{[2-(4-Carboxyphenyl)ethyl][2-(2-{[3-chloro-4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}-5,6,7,8-tetrahydro-2-quinolinecarboxylic acid

  • Molecular FormulaC41H36ClF3N2O5
  • Average mass729.183 Da
  • Monoisotopic mass728.226501 Da
  • ChemSpider ID115009506

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-{[2-(4-Carboxyphenyl)ethyl][2-(2-{[3-chlor-4'-(trifluormethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}-5,6,7,8-tetrahydro-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
(5S)-5-{[2-(4-Carboxyphenyl)ethyl][2-(2-{[3-chloro-4'-(trifluoromethyl)-4-biphenylyl]methoxy}phenyl)ethyl]amino}-5,6,7,8-tetrahydro-2-quinolinecarboxylic acid [ACD/IUPAC Name]
2-Quinolinecarboxylic acid, 5-[[2-(4-carboxyphenyl)ethyl][2-[2-[[3-chloro-4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydro-, (5S)- [ACD/Index Name]
Acide (5S)-5-{[2-(4-carboxyphényl)éthyl][2-(2-{[3-chloro-4'-(trifluorométhyl)-4-biphénylyl]méthoxy}phényl)éthyl]amino}-5,6,7,8-tétrahydro-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
(5S)-5-[2-(4-carboxyphenyl)ethyl-[2-[2-[[2-chloro-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
2231749-54-3 [RN]
Mosliciguat

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

Density: 1.4±0.1 g/cm3
Boiling Point: 843.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 463.9±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 191.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 2304.16
ACD/KOC (pH 5.5): 1036.42
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 842.09
ACD/KOC (pH 7.4): 378.77
Polar Surface Area: 100 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 518.9±5.0 cm3

Click to predict properties on the Chemicalize site


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