ChemSpider 2D Image | 2,16-Bis{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-9-oxa-2,16,20-triazatricyclo[16.3.1.0~3,8~]docosa-1(22),3,5,7,18,20-hexaen-17-one | C36H53N7O6

2,16-Bis{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaen-17-one

  • Molecular FormulaC36H53N7O6
  • Average mass679.849 Da
  • Monoisotopic mass679.405762 Da
  • ChemSpider ID80810716

More details:

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

1H-2,6-Metheno-15,1,4,8-benzoxatriazacycloheptadecin-7(8H)-one, 9,10,11,12,13,14-hexahydro-1,8-bis[2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
2,16-Bis{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaen-17-on [German] [ACD/IUPAC Name]
2,16-Bis{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaen-17-one [ACD/IUPAC Name]
2,16-Bis{2-[4-(2-méthoxyéthyl)-1-pipérazinyl]-2-oxoéthyl}-9-oxa-2,16,20-triazatricyclo[16.3.1.03,8]docosa-1(22),3,5,7,18,20-hexaén-17-one [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: 850.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 468.1±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 185.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.96
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.21
ACD/KOC (pH 7.4): 127.12
Polar Surface Area: 111 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 583.5±3.0 cm3

Click to predict properties on the Chemicalize site


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