ChemSpider 2D Image | NPS 2390 | C19H21N3O

NPS 2390

  • Molecular FormulaC19H21N3O
  • Average mass307.389 Da
  • Monoisotopic mass307.168457 Da
  • ChemSpider ID29342227

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

226878-01-9 [RN]
2-Quinoxalinecarboxamide, N-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]- [ACD/Index Name]
N-[(1r,3R,5S)-Adamantan-1-yl]-2-chinoxalincarboxamid [German] [ACD/IUPAC Name]
N-[(1r,3R,5S)-Adamantan-1-yl]-2-quinoxalinecarboxamide [ACD/IUPAC Name]
N-[(1r,3R,5S)-Adamantan-1-yl]-2-quinoxalinecarboxamide [French] [ACD/IUPAC Name]
NPS 2390
N-tricyclo[3.3.1.13,7]dec-1-yl-2-quinoxalinecarboxamide
N-tricyclo[3.3.1.13,7]dec-1-yl-2-quinoxalinecarboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 281.9±24.6 °C
Index of Refraction: 1.658
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.75
ACD/KOC (pH 5.5): 2003.40
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.73
ACD/KOC (pH 7.4): 2003.25
Polar Surface Area: 55 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 240.1±5.0 cm3

Click to predict properties on the Chemicalize site


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