ChemSpider 2D Image | N-{3-[Cyclohexyl(methyl)amino]propyl}-10-(2,5-dimethylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide | C33H39N3O4S

N-{3-[Cyclohexyl(methyl)amino]propyl}-10-(2,5-dimethylbenzyl)-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 ID22465449

More details:

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

5,5-Dioxyde de N-{3-[cyclohexyl(méthyl)amino]propyl}-10-(2,5-diméthylbenzyl)-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-[3-(cyclohexylmethylamino)propyl]-10-[(2,5-dimethylphenyl)methyl]-10,11-dihydro-11-oxo-, 5,5-dioxide [ACD/Index Name]
N-{3-[Cyclohexyl(methyl)amino]propyl}-10-(2,5-dimethylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-carboxamid-5,5-dioxid [German] [ACD/IUPAC Name]
N-{3-[Cyclohexyl(methyl)amino]propyl}-10-(2,5-dimethylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5,5-dioxide [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: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 421.9±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 162.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.10
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 10.14
ACD/KOC (pH 7.4): 46.60
Polar Surface Area: 95 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

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