ChemSpider 2D Image | 11-[(3,3,5,5-~2~H_4_)-1-Piperazinyl]dibenzo[b,f][1,4]thiazepine | C17H13D4N3S

11-[(3,3,5,5-2H4)-1-Piperazinyl]dibenzo[b,f][1,4]thiazepine

  • Molecular FormulaC17H13D4N3S
  • Average mass299.427 Da
  • Monoisotopic mass299.139435 Da
  • ChemSpider ID58778655

  • Non-standard isotope - Non-standard isotope

More details:

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

11-[(3,3,5,5-2H4)-1-Piperazinyl]dibenzo[b,f][1,4]thiazepin [German] [ACD/IUPAC Name]
11-[(3,3,5,5-2H4)-1-Piperazinyl]dibenzo[b,f][1,4]thiazepine [ACD/IUPAC Name]
11-[(3,3,5,5-2H4)-1-Pipérazinyl]dibenzo[b,f][1,4]thiazépine [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl-3,3,5,5-d4)- [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: 465.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.2±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 5.18
ACD/KOC (pH 7.4): 55.19
Polar Surface Area: 53 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 226.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement