ChemSpider 2D Image | (6',7'-Diethoxy-2'-methyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl)(4-{1-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)methanone | C36H46N8O3

(6',7'-Diethoxy-2'-methyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl)(4-{1-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)methanone

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID8387024

More details:

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

(6',7'-Diethoxy-2'-methyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl)(4-{1-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(6',7'-Diethoxy-2'-methyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl)(4-{1-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-piperazinyl)methanone [ACD/IUPAC Name]
(6',7'-Diéthoxy-2'-méthyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl)(4-{1-[(6-méthyl-2-pyridinyl)méthyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, (6',7'-diethoxy-3',4'-dihydro-2'-methylspiro[cyclohexane-1,1'(2'H)-isoquinolin]-4-yl)[4-[1-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 811.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 444.3±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 182.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 10.40
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 142.43
ACD/KOC (pH 7.4): 774.61
Polar Surface Area: 102 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 485.3±7.0 cm3

Click to predict properties on the Chemicalize site


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