ChemSpider 2D Image | (4S)-4-(Cyclooctylamino)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridinylmethyl)-L-prolinamide | C28H38N4O

(4S)-4-(Cyclooctylamino)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridinylmethyl)-L-prolinamide

  • Molecular FormulaC28H38N4O
  • Average mass446.628 Da
  • Monoisotopic mass446.304565 Da
  • ChemSpider ID22862925

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-(Cyclooctylamino)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridinylmethyl)-L-prolinamid [German] [ACD/IUPAC Name]
(4S)-4-(Cyclooctylamino)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridinylmethyl)-L-prolinamide [ACD/IUPAC Name]
(4S)-4-(Cyclooctylamino)-1-(2,3-dihydro-1H-indén-2-yl)-N-(3-pyridinylméthyl)-L-prolinamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 4-(cyclooctylamino)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridinylmethyl)-, (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: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.0±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.96
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 7.54
ACD/KOC (pH 7.4): 30.04
Polar Surface Area: 57 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 383.5±5.0 cm3

Click to predict properties on the Chemicalize site


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