ChemSpider 2D Image | N-[2-(4-Chlorophenyl)ethyl]-N-({(1R,4S,5S)-4-hydroxy-5-[(3-isopropoxyphenyl)amino]cycloheptyl}carbonyl)glycine | C27H35ClN2O5

N-[2-(4-Chlorophenyl)ethyl]-N-({(1R,4S,5S)-4-hydroxy-5-[(3-isopropoxyphenyl)amino]cycloheptyl}carbonyl)glycine

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID68642137

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, N-[2-(4-chlorophenyl)ethyl]-N-[[(1R,4S,5S)-4-hydroxy-5-[[3-(1-methylethoxy)phenyl]amino]cycloheptyl]carbonyl]- [ACD/Index Name]
N-[2-(4-Chlorophenyl)ethyl]-N-({(1R,4S,5S)-4-hydroxy-5-[(3-isopropoxyphenyl)amino]cycloheptyl}carbonyl)glycine [ACD/IUPAC Name]
N-[2-(4-Chlorophényl)éthyl]-N-({(1R,4S,5S)-4-hydroxy-5-[(3-isopropoxyphényl)amino]cycloheptyl}carbonyl)glycine [French] [ACD/IUPAC Name]
N-[2-(4-Chlorphenyl)ethyl]-N-({(1R,4S,5S)-4-hydroxy-5-[(3-isopropoxyphenyl)amino]cycloheptyl}carbonyl)glycin [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: 721.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 136.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 12.57
ACD/KOC (pH 5.5): 51.95
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.02
Polar Surface Area: 99 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 398.8±3.0 cm3

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