ChemSpider 2D Image | (4S)-4-[(4-Biphenylylmethyl)amino]-1-[4-(diethylamino)benzyl]-N-(2-methoxyethyl)-L-prolinamide | C32H42N4O2

(4S)-4-[(4-Biphenylylmethyl)amino]-1-[4-(diethylamino)benzyl]-N-(2-methoxyethyl)-L-prolinamide

  • Molecular FormulaC32H42N4O2
  • Average mass514.701 Da
  • Monoisotopic mass514.330750 Da
  • ChemSpider ID22865471

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-[(4-Biphenylylmethyl)amino]-1-[4-(diethylamino)benzyl]-N-(2-methoxyethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-4-[(4-Biphenylylmethyl)amino]-1-[4-(diethylamino)benzyl]-N-(2-methoxyethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-4-[(4-Biphénylylméthyl)amino]-1-[4-(diéthylamino)benzyl]-N-(2-méthoxyéthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-[([1,1'-biphenyl]-4-ylmethyl)amino]-1-[[4-(diethylamino)phenyl]methyl]-N-(2-methoxyethyl)-, (2S,4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.24
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 211.45
ACD/KOC (pH 7.4): 723.10
Polar Surface Area: 57 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 448.8±5.0 cm3

Click to predict properties on the Chemicalize site


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