ChemSpider 2D Image | Nalpha-{[4-(4-Morpholinyl)-1-piperidinyl]carbonyl}-N-[(1E,3S)-1-(phenylsulfonyl)-1-hexen-3-yl]-L-phenylalaninamide | C31H42N4O5S

Nα-{[4-(4-Morpholinyl)-1-piperidinyl]carbonyl}-N-[(1E,3S)-1-(phenylsulfonyl)-1-hexen-3-yl]-L-phenylalaninamide

  • Molecular FormulaC31H42N4O5S
  • Average mass582.754 Da
  • Monoisotopic mass582.287598 Da
  • ChemSpider ID4883419

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxamide, 4-(4-morpholinyl)-N-[(1S)-2-oxo-1-(phenylmethyl)-2-[[(1S)-1-[(E)-2-(phenylsulfonyl)ethenyl]butyl]amino]ethyl]- [ACD/Index Name]
Nα-{[4-(4-Morpholinyl)-1-piperidinyl]carbonyl}-N-[(1E,3S)-1-(phenylsulfonyl)-1-hexen-3-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-{[4-(4-Morpholinyl)-1-piperidinyl]carbonyl}-N-[(1E,3S)-1-(phenylsulfonyl)-1-hexen-3-yl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-{[4-(4-Morpholinyl)-1-pipéridinyl]carbonyl}-N-[(1E,3S)-1-(phénylsulfonyl)-1-hexén-3-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
MYP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 858.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.8±3.0 kJ/mol
Flash Point: 473.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 161.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 56.81
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 163.97
ACD/KOC (pH 7.4): 1225.62
Polar Surface Area: 116 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 479.0±3.0 cm3

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