ChemSpider 2D Image | (4S)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-benzyl-4-{[4-(diethylamino)benzyl]amino}-L-prolinamide | C32H40N4O3

(4S)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-benzyl-4-{[4-(diethylamino)benzyl]amino}-L-prolinamide

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID23036555

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-benzyl-4-{[4-(diethylamino)benzyl]amino}-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-N-[2-(1,3-Benzodioxol-5-yl)ethyl]-1-benzyl-4-{[4-(diethylamino)benzyl]amino}-L-prolinamide [ACD/IUPAC Name]
(4S)-N-[2-(1,3-Benzodioxol-5-yl)éthyl]-1-benzyl-4-{[4-(diéthylamino)benzyl]amino}-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[[[4-(diethylamino)phenyl]methyl]amino]-1-(phenylmethyl)-, (2S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 55.83
ACD/KOC (pH 7.4): 221.94
Polar Surface Area: 66 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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