ChemSpider 2D Image | 4-{[(2R)-1-Methoxy-2-propanyl]oxy}-N-[(3-methyl-3-oxetanyl)methyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-1,3,5-triazine-2-carboxamide | C24H40N8O4

4-{[(2R)-1-Methoxy-2-propanyl]oxy}-N-[(3-methyl-3-oxetanyl)methyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-1,3,5-triazine-2-carboxamide

  • Molecular FormulaC24H40N8O4
  • Average mass504.626 Da
  • Monoisotopic mass504.317261 Da
  • ChemSpider ID129039425

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

1,3,5-Triazine-2-carboxamide, 4-[(1R)-2-methoxy-1-methylethoxy]-N-[(3-methyl-3-oxetanyl)methyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]- [ACD/Index Name]
4-{[(2R)-1-Methoxy-2-propanyl]oxy}-N-[(3-methyl-3-oxetanyl)methyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-1,3,5-triazin-2-carboxamid [German] [ACD/IUPAC Name]
4-{[(2R)-1-Methoxy-2-propanyl]oxy}-N-[(3-methyl-3-oxetanyl)methyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-piperidinyl]-1,3,5-triazine-2-carboxamide [ACD/IUPAC Name]
4-{[(2R)-1-Méthoxy-2-propanyl]oxy}-N-[(3-méthyl-3-oxétanyl)méthyl]-6-[4-(octahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-pipéridinyl]-1,3,5-triazine-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 420.9±3.0 cm3

Click to predict properties on the Chemicalize site


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