ChemSpider 2D Image | INCB-9471 | C30H40F3N5O2

INCB-9471

  • Molecular FormulaC30H40F3N5O2
  • Average mass559.666 Da
  • Monoisotopic mass559.313416 Da
  • ChemSpider ID26393183

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluormethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanon [German] [ACD/IUPAC Name]
(4,6-Dimethyl-5-pyrimidinyl)(4-{(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methyl-1-piperazinyl}-4-methyl-1-piperidinyl)methanone [ACD/IUPAC Name]
(4,6-Diméthyl-5-pyrimidinyl)(4-{(3S)-4-[(1R,2R)-2-éthoxy-5-(trifluorométhyl)-2,3-dihydro-1H-indén-1-yl]-3-méthyl-1-pipérazinyl}-4-méthyl-1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
869769-98-2 [RN]
C5D4W25708
INCB-9471
Methanone, (4,6-dimethyl-5-pyrimidinyl)[4-[(3S)-4-[(1R,2R)-2-ethoxy-2,3-dihydro-5-(trifluoromethyl)-1H-inden-1-yl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]- [ACD/Index Name]
UNII:C5D4W25708
UNII-C5D4W25708

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 13.54
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 71.80
ACD/KOC (pH 7.4): 579.84
Polar Surface Area: 62 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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