ChemSpider 2D Image | (4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(4-biphenylylmethyl)amino]-1-(3-chlorobenzyl)-L-prolinamide | C34H34ClN3O3

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(4-biphenylylmethyl)amino]-1-(3-chlorobenzyl)-L-prolinamide

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID52611830

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(4-biphenylylmethyl)amino]-1-(3-chlorbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-[(4-biphenylylmethyl)amino]-1-(3-chlorobenzyl)-L-prolinamide [ACD/IUPAC Name]
(4R)-N-[2-(1,3-Benzodioxol-5-yl)éthyl]-4-[(4-biphénylylméthyl)amino]-1-(3-chlorobenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[([1,1'-biphenyl]-4-ylmethyl)amino]-1-[(3-chlorophenyl)methyl]-, (2S,4R)- [ACD/Index 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: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.7±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.34
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 29.14
ACD/KOC (pH 5.5): 64.23
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 1331.58
ACD/KOC (pH 7.4): 2934.83
Polar Surface Area: 63 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 433.9±5.0 cm3

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