Found 6 results

Search term: KAWVQCBEAFKMSA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carboxamide | C18H17N3O

(3R)-3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carboxamide

  • Molecular FormulaC18H17N3O
  • Average mass291.347 Da
  • Monoisotopic mass291.137177 Da
  • ChemSpider ID30650505

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-carboxamid [German] [ACD/IUPAC Name]
(3R)-3-Phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-2-carboxamide [ACD/IUPAC Name]
(3R)-3-Phényl-3,3a,4,5-tétrahydro-2H-benzo[g]indazole-2-carboxamide [French] [ACD/IUPAC Name]
2H-Benz[g]indazole-2-carboxamide, 3,3a,4,5-tetrahydro-3-phenyl-, (3R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 489.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 250.0±31.5 °C
Index of Refraction: 1.709
Molar Refractivity: 85.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.63
ACD/KOC (pH 5.5): 703.05
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.63
ACD/KOC (pH 7.4): 703.08
Polar Surface Area: 59 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 217.9±7.0 cm3

Click to predict properties on the Chemicalize site


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