ChemSpider 2D Image | 8-[(4-Benzyl-1-piperidinyl)carbonyl]-10-(2,5-dimethylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one 5-oxide | C35H34N2O3S

8-[(4-Benzyl-1-piperidinyl)carbonyl]-10-(2,5-dimethylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one 5-oxide

  • Molecular FormulaC35H34N2O3S
  • Average mass562.721 Da
  • Monoisotopic mass562.229004 Da
  • ChemSpider ID22465324

More details:

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

5-Oxyde de 8-[(4-benzyl-1-pipéridinyl)carbonyl]-10-(2,5-diméthylbenzyl)dibenzo[b,f][1,4]thiazépin-11(10H)-one [French] [ACD/IUPAC Name]
8-[(4-Benzyl-1-piperidinyl)carbonyl]-10-(2,5-dimethylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-on-5-oxid [German] [ACD/IUPAC Name]
8-[(4-Benzyl-1-piperidinyl)carbonyl]-10-(2,5-dimethylbenzyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one 5-oxide [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 10-[(2,5-dimethylphenyl)methyl]-8-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]-, 5-oxide [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: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 431.0±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2456.17
ACD/KOC (pH 5.5): 9296.99
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2456.17
ACD/KOC (pH 7.4): 9296.99
Polar Surface Area: 77 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 71.4±5.0 dyne/cm
Molar Volume: 423.9±5.0 cm3

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