ChemSpider 2D Image | 2-Chloro-11-[4-methyl(~2~H_8_)-1-piperazinyl]dibenzo[b,f][1,4]thiazepine | C18H10D8ClN3S

2-Chloro-11-[4-methyl(2H8)-1-piperazinyl]dibenzo[b,f][1,4]thiazepine

  • Molecular FormulaC18H10D8ClN3S
  • Average mass351.923 Da
  • Monoisotopic mass351.141205 Da
  • ChemSpider ID58779069
  • Non-standard isotope - Non-standard isotope


More details:






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

2-Chlor-11-[4-methyl(2H8)-1-piperazinyl]dibenzo[b,f][1,4]thiazepin [German] [ACD/IUPAC Name]
2-Chloro-11-[4-methyl(2H8)-1-piperazinyl]dibenzo[b,f][1,4]thiazepine [ACD/IUPAC Name]
2-Chloro-11-[4-méthyl(2H8)-1-pipérazinyl]dibenzo[b,f][1,4]thiazépine [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.4±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 57.86
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 193.27
ACD/KOC (pH 7.4): 1366.45
Polar Surface Area: 44 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 257.5±7.0 cm3

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