ChemSpider 2D Image | [4-(2-Hydroxyethyl)-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 | C30H43N3O4

[4-(2-Hydroxyethyl)-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 FormulaC30H43N3O4
  • Average mass509.680 Da
  • Monoisotopic mass509.325348 Da
  • ChemSpider ID77204572

More details:

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

[4-(2-Hydroxyethyl)-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-Hydroxyethyl)-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-Hydroxyéthyl)-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-hydroxyethyl)-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: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.4±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 146.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 52.75
ACD/KOC (pH 7.4): 395.77
Polar Surface Area: 65 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 462.1±3.0 cm3

Click to predict properties on the Chemicalize site


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