ChemSpider 2D Image | 4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-[1-(2-pyrazinyl)-2-propanyl]butanamide | C22H28N8O

4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-[1-(2-pyrazinyl)-2-propanyl]butanamide

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID22229510

More details:

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

1H-Tetrazole-1-butanamide, 5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-N-[1-methyl-2-(2-pyrazinyl)ethyl]- [ACD/Index Name]
4-[5-(3,4-Dihydro-2(1H)-isochinolinylmethyl)-1H-tetrazol-1-yl]-N-[1-(2-pyrazinyl)-2-propanyl]butanamid [German] [ACD/IUPAC Name]
4-[5-(3,4-Dihydro-2(1H)-isoquinoléinylméthyl)-1H-tétrazol-1-yl]-N-[1-(2-pyrazinyl)-2-propanyl]butanamide [French] [ACD/IUPAC Name]
4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-[1-(2-pyrazinyl)-2-propanyl]butanamide [ACD/IUPAC Name]
4-[5-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-[1-methyl-2-(2-pyrazinyl)ethyl]butanamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.682
Molar Refractivity: 120.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 35.47
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 90.91
Polar Surface Area: 102 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 318.7±7.0 cm3

Click to predict properties on the Chemicalize site


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