ChemSpider 2D Image | 2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](~2~H_4_)ethyl}oxy)ethanol | C21H21D4N3O2S

2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)ethanol

  • Molecular FormulaC21H21D4N3O2S
  • Average mass387.532 Da
  • Monoisotopic mass387.191864 Da
  • ChemSpider ID48063443
  • Non-standard isotope - Non-standard isotope


More details:






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

2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)ethanol [German] [ACD/IUPAC Name]
2-({2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl](2H4)ethyl}oxy)ethanol [ACD/IUPAC Name]
2-({2-[4-(Dibenzo[b,f][1,4]thiazépin-11-yl)-1-pipérazinyl](2H4)éthyl}oxy)éthanol [French] [ACD/IUPAC Name]
Ethanol, 2-[[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethyl-1,1,2,2-d4]oxy]- [ACD/Index Name]
1031703-35-1 [RN]
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-1,1,2,2-tetradeuterioethoxy]ethanol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 556.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.4±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 23.28
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 30.52
ACD/KOC (pH 7.4): 379.03
Polar Surface Area: 74 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 301.1±7.0 cm3

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