ChemSpider 2D Image | NVP ACQ090 | C30H40F2N4O2

NVP ACQ090

  • Molecular FormulaC30H40F2N4O2
  • Average mass526.661 Da
  • Monoisotopic mass526.311951 Da
  • ChemSpider ID9618761

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[4-(3,4-Difluorophényl)-1-pipérazinyl]{(4S,4aS,8aR)-2-[3-(6-méthoxy-3-pyridinyl)-2-méthylpropyl]décahydro-4-isoquinoléinyl}méthanone [French] [ACD/IUPAC Name]
[4-(3,4-Difluorophenyl)-1-piperazinyl]{(4S,4aS,8aR)-2-[3-(6-methoxy-3-pyridinyl)-2-methylpropyl]decahydro-4-isoquinolinyl}methanone [ACD/IUPAC Name]
[4-(3,4-Difluorphenyl)-1-piperazinyl]{(4S,4aS,8aR)-2-[3-(6-methoxy-3-pyridinyl)-2-methylpropyl]decahydro-4-isochinolinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [(4S,4aS,8aR)-decahydro-2-[3-(6-methoxy-3-pyridinyl)-2-methylpropyl]-4-isoquinolinyl][4-(3,4-difluorophenyl)-1-piperazinyl]- [ACD/Index Name]
NVP ACQ090
[(4S,4aS,8aR)-2-[3-(6-methoxypyridin-3-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone
362612-47-3 (free base)
ACQ090

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.4±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 23.84
ACD/KOC (pH 5.5): 87.04
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1077.89
ACD/KOC (pH 7.4): 3934.75
Polar Surface Area: 49 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 446.9±3.0 cm3

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