ChemSpider 2D Image | 7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](~2~H_12_)heptanoic acid | C21H13D12ClN2O4S

7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](2H12)heptanoic acid

  • Molecular FormulaC21H13D12ClN2O4S
  • Average mass449.026 Da
  • Monoisotopic mass448.197662 Da
  • ChemSpider ID58784518

  • 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](2H12)heptansäure [German] [ACD/IUPAC Name]
7-[(3-Chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino](2H12)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](2H12)heptanoïque [French] [ACD/IUPAC Name]
Heptanoic-2,2,3,3,4,4,5,5,6,6,7,7-d12 acid, 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]- [ACD/Index Name]
1189870-26-5 [RN]

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

Click to predict properties on the Chemicalize site


Advertisement