ChemSpider 2D Image | 2-{2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-yl)(~2~H_8_)-1-piperazinyl]ethoxy}ethanol | C21H17D8N3O3S

2-{2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-yl)(2H8)-1-piperazinyl]ethoxy}ethanol

  • Molecular FormulaC21H17D8N3O3S
  • Average mass407.556 Da
  • Monoisotopic mass407.211884 Da
  • ChemSpider ID48063464

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-yl)(2H8)-1-piperazinyl]ethoxy}ethanol [German] [ACD/IUPAC Name]
2-{2-[4-(5-Oxidodibenzo[b,f][1,4]thiazepin-11-yl)(2H8)-1-piperazinyl]ethoxy}ethanol [ACD/IUPAC Name]
2-{2-[4-(5-Oxydodibenzo[b,f][1,4]thiazépin-11-yl)(2H8)-1-pipérazinyl]éthoxy}éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[2-[4-(5-oxidodibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]ethoxy]- [ACD/Index Name]
1330238-38-4 [RN]
2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(11-oxobenzo[b][1,4]benzothiazepin-6-yl)piperazin-1-yl]ethoxy]ethanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 323.5±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 111.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 40.21
Polar Surface Area: 85 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 295.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement