ChemSpider 2D Image | 4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-methyl-9-(4-methyl-1-piperazinyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine | C27H32F2N8

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-methyl-9-(4-methyl-1-piperazinyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine

  • Molecular FormulaC27H32F2N8
  • Average mass506.593 Da
  • Monoisotopic mass506.271790 Da
  • ChemSpider ID9412536

More details:

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

4-{4-[2-(3,4-Difluorophenyl)ethyl]-1-piperazinyl}-5-methyl-9-(4-methyl-1-piperazinyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine [ACD/IUPAC Name]
4-{4-[2-(3,4-Difluorophényl)éthyl]-1-pipérazinyl}-5-méthyl-9-(4-méthyl-1-pipérazinyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
4-{4-[2-(3,4-Difluorphenyl)ethyl]-1-piperazinyl}-5-methyl-9-(4-methyl-1-piperazinyl)-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
5H-Pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-5-methyl-9-(4-methyl-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: 633.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.1±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): -0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 10.71
Polar Surface Area: 57 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 367.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement