ChemSpider 2D Image | WYE-687 | C28H32N8O3

WYE-687

  • Molecular FormulaC28H32N8O3
  • Average mass528.606 Da
  • Monoisotopic mass528.259766 Da
  • ChemSpider ID24626255

More details:

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

(4-{4-(4-Morpholinyl)-1-[1-(3-pyridinylméthyl)-4-pipéridinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phényl)carbamate de méthyle [French] [ACD/IUPAC Name]
1062161-90-3 [RN]
Carbamic acid, N-[4-[4-(4-morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-, methyl ester [ACD/Index Name]
Methyl (4-{4-(4-morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)carbamate [ACD/IUPAC Name]
methyl N-{4-[4-(morpholin-4-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}carbamate
methyl N-{4-[4-(morpholin-4-yl)-1-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl}carbamate
Methyl-(4-{4-(4-morpholinyl)-1-[1-(3-pyridinylmethyl)-4-piperidinyl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)carbamat [German] [ACD/IUPAC Name]
WYE-687
[1062161-90-3] [RN]
Methyl (4-(4-morpholino-1-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)carbamate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.708
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 22.44
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.08
ACD/KOC (pH 7.4): 286.16
Polar Surface Area: 111 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 376.8±7.0 cm3

Click to predict properties on the Chemicalize site


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