ChemSpider 2D Image | N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide | C28H29ClN4O4S

N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide

  • Molecular FormulaC28H29ClN4O4S
  • Average mass553.072 Da
  • Monoisotopic mass552.159790 Da
  • ChemSpider ID22465348

More details:

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

5,5-Dioxyde de N-{2-[4-(3-chlorophényl)-1-pipérazinyl]éthyl}-10-éthyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazépine-8-carboxamide [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine-8-carboxamide, N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-10-ethyl-10,11-dihydro-11-oxo-, 5,5-dioxide [ACD/Index Name]
N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide [ACD/IUPAC Name]
N-{2-[4-(3-Chlorphenyl)-1-piperazinyl]ethyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-carboxamid-5,5-dioxid [German] [ACD/IUPAC 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: 779.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 425.2±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 147.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 9.44
ACD/KOC (pH 5.5): 83.51
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 107.24
ACD/KOC (pH 7.4): 948.96
Polar Surface Area: 98 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 413.1±3.0 cm3

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