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Search term: KCTFIWDZXROTJT-HXUWFJFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2R)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile | C26H27F3N6O2S

1-[(2R)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile

  • Molecular FormulaC26H27F3N6O2S
  • Average mass544.592 Da
  • Monoisotopic mass544.186829 Da
  • ChemSpider ID58913281

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2R)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluorethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indol-2-carbonitril [German] [ACD/IUPAC Name]
1-[(2R)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile [ACD/IUPAC Name]
1-[(2R)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-trifluoroéthyl)thiéno[2,3-d]pyrimidin-4-yl]amino}-1-pipéridinyl)méthyl]-1H-indole-2-carbonitrile [French] [ACD/IUPAC Name]
1-[(2r)-2,3-Dihydroxypropyl]-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile
1H-Indole-2-carbonitrile, 1-[(2R)-2,3-dihydroxypropyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-piperidinyl]methyl]- [ACD/Index Name]
6E6

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.4±31.5 °C
Index of Refraction: 1.686
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.98
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 19.22
ACD/KOC (pH 7.4): 193.02
Polar Surface Area: 138 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 363.5±7.0 cm3

Click to predict properties on the Chemicalize site


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