ChemSpider 2D Image | TIANEPTINE-D6 | C21H19D6ClN2O4S

TIANEPTINE-D6

  • Molecular FormulaC21H19D6ClN2O4S
  • Average mass442.989 Da
  • Monoisotopic mass442.160004 Da
  • ChemSpider ID71117124

  • Non-standard isotope - Non-standard isotope

More details:

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

7-[(3-Chlor-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](4,4,5,5,6,6-2H6)heptansäure [German] [ACD/IUPAC Name]
7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](4,4,5,5,6,6-2H6)heptanoic acid [ACD/IUPAC Name]
Acide 7-[(3-chloro-6-méthyl-5,5-dioxydo-6,11-dihydrodibenzo[c,f][1,2]thiazépin-11-yl)amino](4,4,5,5,6,6-2H6)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic-4,4,5,5,6,6-d6 acid, 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]- [ACD/Index Name]
TIANEPTINE-D6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.2±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.82
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 95 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

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