ChemSpider 2D Image | 6-Cyclopropyl-2-[3-{6-[1-(1-ethyl-4-piperidinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxymethyl)phenyl]-1(2H)-phthalazinone | C34H34N8O2

6-Cyclopropyl-2-[3-{6-[1-(1-ethyl-4-piperidinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxymethyl)phenyl]-1(2H)-phthalazinone

  • Molecular FormulaC34H34N8O2
  • Average mass586.686 Da
  • Monoisotopic mass586.280457 Da
  • ChemSpider ID76815924

More details:

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

1(2H)-Phthalazinone, 6-cyclopropyl-2-[3-[6-[1-(1-ethyl-4-piperidinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]- [ACD/Index Name]
6-Cyclopropyl-2-[3-{6-[1-(1-éthyl-4-pipéridinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxyméthyl)phényl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
6-Cyclopropyl-2-[3-{6-[1-(1-ethyl-4-piperidinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxymethyl)phenyl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
6-Cyclopropyl-2-[3-{6-[1-(1-ethyl-4-piperidinyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxymethyl)phenyl]-1(2H)-phthalazinone [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 167.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 10.99
ACD/KOC (pH 7.4): 76.65
Polar Surface Area: 116 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 400.3±7.0 cm3

Click to predict properties on the Chemicalize site


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