ChemSpider 2D Image | {2'-[3-(Isopropylamino)propyl]-6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl}{4-[1-(2-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone | C38H49N9O5

{2'-[3-(Isopropylamino)propyl]-6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl}{4-[1-(2-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone

  • Molecular FormulaC38H49N9O5
  • Average mass711.853 Da
  • Monoisotopic mass711.385681 Da
  • ChemSpider ID8409346

More details:

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

{2'-[3-(Isopropylamino)propyl]-6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl}{4-[1-(2-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
{2'-[3-(Isopropylamino)propyl]-6',7'-dimethoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl}{4-[1-(2-nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{2'-[3-(Isopropylamino)propyl]-6',7'-diméthoxy-3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-isoquinolin]-4-yl}{4-[1-(2-nitrophényl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3',4'-dihydro-6',7'-dimethoxy-2'-[3-[(1-methylethyl)amino]propyl]spiro[cyclohexane-1,1'(2'H)-isoquinolin]-4-yl][4-[1-(2-nitrophenyl)-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: 1.4±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.678
Molar Refractivity: 197.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 5.75
Polar Surface Area: 147 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 522.5±7.0 cm3

Click to predict properties on the Chemicalize site


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