ChemSpider 2D Image | N-[(5-Cyclopropyl-1H-pyrazol-3-yl)methyl]-4-[5-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-methylbutanamide | C23H30N8O

N-[(5-Cyclopropyl-1H-pyrazol-3-yl)methyl]-4-[5-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-methylbutanamide

  • Molecular FormulaC23H30N8O
  • Average mass434.537 Da
  • Monoisotopic mass434.254272 Da
  • ChemSpider ID23067745

More details:

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

1H-Tetrazole-1-butanamide, N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-5-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-N-methyl- [ACD/Index Name]
N-[(5-Cyclopropyl-1H-pyrazol-3-yl)methyl]-4-[5-(3,4-dihydro-2(1H)-isochinolinylmethyl)-1H-tetrazol-1-yl]-N-methylbutanamid [German] [ACD/IUPAC Name]
N-[(5-Cyclopropyl-1H-pyrazol-3-yl)méthyl]-4-[5-(3,4-dihydro-2(1H)-isoquinoléinylméthyl)-1H-tétrazol-1-yl]-N-méthylbutanamide [French] [ACD/IUPAC Name]
N-[(5-Cyclopropyl-1H-pyrazol-3-yl)methyl]-4-[5-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-1H-tetrazol-1-yl]-N-methylbutanamide [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: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 99.32
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.37
ACD/KOC (pH 7.4): 255.96
Polar Surface Area: 96 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 312.3±7.0 cm3

Click to predict properties on the Chemicalize site


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