ChemSpider 2D Image | 1-[4-(4,5-Dimethoxy-2-methylbenzyl)-1-piperazinyl]-2-{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]sulfanyl}ethanone | C22H32N6O4S

1-[4-(4,5-Dimethoxy-2-methylbenzyl)-1-piperazinyl]-2-{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]sulfanyl}ethanone

  • Molecular FormulaC22H32N6O4S
  • Average mass476.592 Da
  • Monoisotopic mass476.220581 Da
  • ChemSpider ID22087981

More details:

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

1-[4-(4,5-Dimethoxy-2-methylbenzyl)-1-piperazinyl]-2-{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]sulfanyl}ethanon [German] [ACD/IUPAC Name]
1-[4-(4,5-Dimethoxy-2-methylbenzyl)-1-piperazinyl]-2-{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]sulfanyl}ethanone [ACD/IUPAC Name]
1-[4-(4,5-Diméthoxy-2-méthylbenzyl)-1-pipérazinyl]-2-{[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]sulfanyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-[[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]thio]- [ACD/Index 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: 668.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.9±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 64.97
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 116.90
Polar Surface Area: 120 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site


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