ChemSpider 2D Image | 1-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone | C31H47N7O2

1-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone

  • Molecular FormulaC31H47N7O2
  • Average mass549.751 Da
  • Monoisotopic mass549.379150 Da
  • ChemSpider ID121990315

More details:

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

1-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{6-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-1-piperazinyl)-3-(1-pyrrolidinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{6-[4-(2-Hydroxyéthyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-1-pipérazinyl)-3-(1-pyrrolidinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-(2-hydroxyethyl)-1-piperazinyl]-4-pyrimidinyl]-1-piperazinyl]-3-(1-pyrrolidinyl)- [ACD/Index 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: 689.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 157.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.98
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

Click to predict properties on the Chemicalize site


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