ChemSpider 2D Image | 1-[(4aR,8aR)-7-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl]-2-methoxyethanone | C16H25ClN4O3

1-[(4aR,8aR)-7-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl]-2-methoxyethanone

  • Molecular FormulaC16H25ClN4O3
  • Average mass356.848 Da
  • Monoisotopic mass356.161530 Da
  • ChemSpider ID29525723

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4aR,8aR)-7-[2-(4-Chlor-1H-pyrazol-1-yl)ethyl]-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl]-2-methoxyethanon [German] [ACD/IUPAC Name]
1-[(4aR,8aR)-7-[2-(4-Chloro-1H-pyrazol-1-yl)ethyl]-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-yl]-2-methoxyethanone [ACD/IUPAC Name]
1-[(4aR,8aR)-7-[2-(4-Chloro-1H-pyrazol-1-yl)éthyl]-4a-hydroxyoctahydro-2,7-naphtyridin-2(1H)-yl]-2-méthoxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(4aR,8aR)-7-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]octahydro-4a-hydroxy-2,7-naphthyridin-2(1H)-yl]-2-methoxy- [ACD/Index Name]
(4aR*,8aR*)-2-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-7-(methoxyacetyl)octahydro-2,7-naphthyridin-4a(2H)-ol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 555.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.7±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.41
Polar Surface Area: 71 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 256.6±7.0 cm3

Click to predict properties on the Chemicalize site


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