ChemSpider 2D Image | 5-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-[3-(dimethylamino)propyl]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4(1H)-pyridinone | C22H27ClN6O4S

5-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-[3-(dimethylamino)propyl]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4(1H)-pyridinone

  • Molecular FormulaC22H27ClN6O4S
  • Average mass507.006 Da
  • Monoisotopic mass506.150299 Da
  • ChemSpider ID123439883

More details:

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

4(1H)-Pyridinone, 5-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-[3-(dimethylamino)propyl]-2-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]- [ACD/Index Name]
5-[(6-Chlor-4H-1,3-benzodioxin-8-yl)methoxy]-1-[3-(dimethylamino)propyl]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
5-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-[3-(dimethylamino)propyl]-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-4(1H)-pyridinone [ACD/IUPAC Name]
5-[(6-Chloro-4H-1,3-benzodioxin-8-yl)méthoxy]-1-[3-(diméthylamino)propyl]-2-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.78
Polar Surface Area: 120 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

Click to predict properties on the Chemicalize site


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