ChemSpider 2D Image | (15S)-15-Benzyl-10-[(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione | C33H41N7O5

(15S)-15-Benzyl-10-[(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione

  • Molecular FormulaC33H41N7O5
  • Average mass615.722 Da
  • Monoisotopic mass615.316895 Da
  • ChemSpider ID107752546
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(15S)-15-Benzyl-10-[(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-trien-6,14,17-trion [German] [ACD/IUPAC Name]
(15S)-15-Benzyl-10-[(6-ethyl-1,5-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione [ACD/IUPAC Name]
(15S)-15-Benzyl-10-[(6-éthyl-1,5-diméthyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-2,5,10,13,16,19-hexaazabicyclo[16.3.1]docosa-1(22),18,20-triène-6,14,17-trione [French] [ACD/IUPAC Name]
2,5,10,13,16,19-Hexaazabicyclo[16.3.1]docosa-1(22),18,20-triene-6,14,17-trione, 10-[(6-ethyl-1,2-dihydro-1,5-dimethyl-2-oxo-3-pyridinyl)carbonyl]-15-(phenylmethyl)-, (15S)- [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: 1024.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.0±3.0 kJ/mol
Flash Point: 573.5±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 167.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.16
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.18
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 35.52
Polar Surface Area: 153 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 524.8±3.0 cm3

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