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

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

  • Molecular FormulaC36H46N8O3
  • Average mass638.802 Da
  • Monoisotopic mass638.369263 Da
  • ChemSpider ID8408569

More details:

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

(6',7'-Diethoxy-2'-ethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl){4-[1-(2-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(6',7'-Diethoxy-2'-ethyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl){4-[1-(2-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(6',7'-Diéthoxy-2'-éthyl-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl){4-[1-(2-pyridinylméthyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (6',7'-diethoxy-2'-ethyl-3',4'-dihydrospiro[cyclohexane-1,1'(2'H)-isoquinolin]-4-yl)[4-[1-(2-pyridinylmethyl)-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: 816.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.6±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 182.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 12.34
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 140.76
ACD/KOC (pH 7.4): 737.39
Polar Surface Area: 102 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 486.2±7.0 cm3

Click to predict properties on the Chemicalize site


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