ChemSpider 2D Image | [(3S)-3-({6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}oxy)-1-pyrrolidinyl](1,3-thiazol-4-yl)methanone | C22H21F3N6O3S

[(3S)-3-({6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}oxy)-1-pyrrolidinyl](1,3-thiazol-4-yl)methanone

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID58904908

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3-({6-[6-Methoxy-5-(trifluormethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}oxy)-1-pyrrolidinyl](1,3-thiazol-4-yl)methanon [German] [ACD/IUPAC Name]
[(3S)-3-({6-[6-Methoxy-5-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl}oxy)-1-pyrrolidinyl](1,3-thiazol-4-yl)methanone [ACD/IUPAC Name]
[(3S)-3-({6-[6-Méthoxy-5-(trifluorométhyl)-3-pyridinyl]-5,6,7,8-tétrahydropyrido[4,3-d]pyrimidin-4-yl}oxy)-1-pyrrolidinyl](1,3-thiazol-4-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(3S)-3-[[5,6,7,8-tetrahydro-6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]oxy]-1-pyrrolidinyl]-4-thiazolyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.8±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.42
ACD/KOC (pH 5.5): 500.19
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.46
ACD/KOC (pH 7.4): 500.58
Polar Surface Area: 122 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 348.2±3.0 cm3

Click to predict properties on the Chemicalize site


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