ChemSpider 2D Image | 2,2'-[17-Oxo-9-oxa-2,16,20-triazatricyclo[16.3.1.0~3,8~]docosa-1(22),3,5,7,18,20-hexaene-2,16-diyl]bis(N-cyclopentylacetamide) | C32H43N5O4

2,2'-[17-Oxo-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaene-2,16-diyl]bis(N-cyclopentylacetamide)

  • Molecular FormulaC32H43N5O4
  • Average mass561.715 Da
  • Monoisotopic mass561.331482 Da
  • ChemSpider ID80810731

More details:

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

1H-2,6-Metheno-15,1,4,8-benzoxatriazacycloheptadecine-1,8(7H)-diacetamide, N1,N8-dicyclopentyl-9,10,11,12,13,14-hexahydro-7-oxo- [ACD/Index Name]
2,2'-[17-Oxo-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaen-2,16-diyl]bis(N-cyclopentylacetamid) [German] [ACD/IUPAC Name]
2,2'-[17-Oxo-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaene-2,16-diyl]bis(N-cyclopentylacetamide) [ACD/IUPAC Name]
2,2'-[17-Oxo-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaène-2,16-diyl]bis(N-cyclopentylacétamide) [French] [ACD/IUPAC 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: 852.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 469.2±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 157.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.93
ACD/KOC (pH 5.5): 1493.30
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 191.11
ACD/KOC (pH 7.4): 1494.67
Polar Surface Area: 104 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

Click to predict properties on the Chemicalize site


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