ChemSpider 2D Image | 7-(Dimethylphosphoryl)-3-[2-{[(3S)-6,6-dimethyl-3-piperidinyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]-1H-indole-6-carbonitrile | C23H26F3N6OP

7-(Dimethylphosphoryl)-3-[2-{[(3S)-6,6-dimethyl-3-piperidinyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]-1H-indole-6-carbonitrile

  • Molecular FormulaC23H26F3N6OP
  • Average mass490.461 Da
  • Monoisotopic mass490.185791 Da
  • ChemSpider ID114935247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)-3-[2-[[(3S)-6,6-dimethyl-3-piperidinyl]amino]-5-(trifluoromethyl)-4-pyrimidinyl]- [ACD/Index Name]
7-(Dimethylphosphoryl)-3-[2-{[(3S)-6,6-dimethyl-3-piperidinyl]amino}-5-(trifluormethyl)-4-pyrimidinyl]-1H-indol-6-carbonitril [German] [ACD/IUPAC Name]
7-(Dimethylphosphoryl)-3-[2-{[(3S)-6,6-dimethyl-3-piperidinyl]amino}-5-(trifluoromethyl)-4-pyrimidinyl]-1H-indole-6-carbonitrile [ACD/IUPAC Name]
7-(Diméthylphosphoryl)-3-[2-{[(3S)-6,6-diméthyl-3-pipéridinyl]amino}-5-(trifluorométhyl)-4-pyrimidinyl]-1H-indole-6-carbonitrile [French] [ACD/IUPAC Name]
2417302-07-7 [RN]
7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
SY-5609
Unii-TW6044C3O6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.2±35.7 °C
Index of Refraction: 1.596
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.29
Polar Surface Area: 116 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 358.0±5.0 cm3

Click to predict properties on the Chemicalize site


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