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Search term: DNHJKFTYIWNMAF-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[2-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-N-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide | C29H28N4O2

1-[2-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-N-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC29H28N4O2
  • Average mass464.558 Da
  • Monoisotopic mass464.221222 Da
  • ChemSpider ID24698360

More details:

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

1-[2-(3,4-Dihydro-2(1H)-isochinolinylcarbonyl)phenyl]-N-ethyl-5-methyl-N-phenyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1-[2-(3,4-Dihydro-2(1H)-isoquinoléinylcarbonyl)phényl]-N-éthyl-5-méthyl-N-phényl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1-[2-(3,4-Dihydro-2(1H)-isoquinolinylcarbonyl)phenyl]-N-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-[2-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]phenyl]-N-ethyl-5-methyl-N-phenyl- [ACD/Index Name]
CHEMBL480009
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480009/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.3±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 139.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 555.71
ACD/KOC (pH 5.5): 3208.97
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 555.72
ACD/KOC (pH 7.4): 3209.00
Polar Surface Area: 58 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 386.2±7.0 cm3

Click to predict properties on the Chemicalize site


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