ChemSpider 2D Image | 10-(2,5-Dimethylbenzyl)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide | C33H39N3O4S

10-(2,5-Dimethylbenzyl)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide

  • Molecular FormulaC33H39N3O4S
  • Average mass573.745 Da
  • Monoisotopic mass573.266113 Da
  • ChemSpider ID22465448

More details:

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

10-(2,5-Dimethylbenzyl)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-carboxamid-5,5-dioxid [German] [ACD/IUPAC Name]
10-(2,5-Dimethylbenzyl)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide [ACD/IUPAC Name]
5,5-Dioxyde de 10-(2,5-diméthylbenzyl)-N-[3-(3,5-diméthyl-1-pipéridinyl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazépine-8-carboxamide [French] [ACD/IUPAC Name]
Dibenzo[b,f][1,4]thiazepine-8-carboxamide, 10-[(2,5-dimethylphenyl)methyl]-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-10,11-dihydro-11-oxo-, 5,5-dioxide [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: 764.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.9±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 161.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 7.18
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 18.23
ACD/KOC (pH 7.4): 73.35
Polar Surface Area: 95 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 475.7±3.0 cm3

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