ChemSpider 2D Image | 2,2'-(11,12-Dioxo-1,4,7,10-tetraazabicyclo[8.2.2]tetradecane-4,7-diyl)bis{N-[(1R)-1-phenylethyl]acetamide} | C30H40N6O4

2,2'-(11,12-Dioxo-1,4,7,10-tetraazabicyclo[8.2.2]tetradecane-4,7-diyl)bis{N-[(1R)-1-phenylethyl]acetamide}

  • Molecular FormulaC30H40N6O4
  • Average mass548.676 Da
  • Monoisotopic mass548.311096 Da
  • ChemSpider ID9938039

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,4,7,10-Tetraazabicyclo[8.2.2]tetradecane-4,7-diacetamide, 11,12-dioxo-N4,N7-bis[(1R)-1-phenylethyl]- [ACD/Index Name]
2,2'-(11,12-Dioxo-1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-4,7-diyl)bis{N-[(1R)-1-phenylethyl]acetamid} [German] [ACD/IUPAC Name]
2,2'-(11,12-Dioxo-1,4,7,10-tetraazabicyclo[8.2.2]tetradecane-4,7-diyl)bis{N-[(1R)-1-phenylethyl]acetamide} [ACD/IUPAC Name]
2,2'-(11,12-Dioxo-1,4,7,10-tétraazabicyclo[8.2.2]tétradécane-4,7-diyl)bis{N-[(1R)-1-phényléthyl]acétamide} [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.51
ACD/KOC (pH 7.4): 65.32
Polar Surface Area: 105 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 433.8±5.0 cm3

Click to predict properties on the Chemicalize site


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