ChemSpider 2D Image | 2-Chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide | C28H29ClN2O3S

2-Chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

  • Molecular FormulaC28H29ClN2O3S
  • Average mass509.060 Da
  • Monoisotopic mass508.158752 Da
  • ChemSpider ID20249902

More details:

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

2-Chlor-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepin-8-carboxamid [German] [ACD/IUPAC Name]
2-Chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide [ACD/IUPAC Name]
2-Chloro-N-[2-(3,4-diéthoxyphényl)éthyl]-11-éthyldibenzo[b,f][1,4]thiazépine-8-carboxamide [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine-8-carboxamide, 2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-11-ethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 648.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 143.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 24945.01
ACD/KOC (pH 5.5): 48859.08
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24945.17
ACD/KOC (pH 7.4): 48859.40
Polar Surface Area: 85 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 409.7±7.0 cm3

Click to predict properties on the Chemicalize site


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