ChemSpider 2D Image | 4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)butanamide | C22H28N8O

4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)butanamide

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID22161271

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-[(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl]- [ACD/Index Name]
4-[5-(3,4-Dihydro-2(1H)-isochinolinylmethyl)-1H-tetrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)butanamid [German] [ACD/IUPAC Name]
4-[5-(3,4-Dihydro-2(1H)-isoquinoléinylméthyl)-1H-tétrazol-1-yl]-N-(1,4,5,6-tétrahydrocyclopenta[c]pyrazol-3-ylméthyl)butanamide [French] [ACD/IUPAC Name]
4-[5-(3,4-Dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)butanamide [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: 777.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.9±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 5.05
ACD/KOC (pH 5.5): 74.08
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.11
ACD/KOC (pH 7.4): 294.82
Polar Surface Area: 105 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 291.0±7.0 cm3

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