ChemSpider 2D Image | [4-(2-Methoxyethyl)-1-piperazinyl][15-(3-methylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.0~3,8~]henicosa-1(21),3,5,7,17,19-hexaen-5-yl]methanone | C31H45N3O4

[4-(2-Methoxyethyl)-1-piperazinyl][15-(3-methylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-5-yl]methanone

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID77204575

More details:

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

[4-(2-Methoxyethyl)-1-piperazinyl][15-(3-methylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-5-yl]methanon [German] [ACD/IUPAC Name]
[4-(2-Methoxyethyl)-1-piperazinyl][15-(3-methylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3,5,7,17,19-hexaen-5-yl]methanone [ACD/IUPAC Name]
[4-(2-Méthoxyéthyl)-1-pipérazinyl][15-(3-méthylbutyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]hénicosa-1(21),3,5,7,17,19-hexaén-5-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [2,3,5,6,7,8-hexahydro-7-(3-methylbutyl)-14H-9,13-metheno-1,4,7-benzodioxaazacyclohexadecin-16-yl][4-(2-methoxyethyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 657.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.56
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 82.24
ACD/KOC (pH 7.4): 543.05
Polar Surface Area: 54 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 487.5±3.0 cm3

Click to predict properties on the Chemicalize site


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