ChemSpider 2D Image | 4-Biphenylyl{4-[6-ethyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidin-4-yl]-1-piperazinyl}methanone | C29H32N6OS

4-Biphenylyl{4-[6-ethyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidin-4-yl]-1-piperazinyl}methanone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID10129698

More details:

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

4-Biphenylyl{4-[6-ethyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidin-4-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
4-Biphenylyl{4-[6-ethyl-2-(1-piperazinyl)thieno[2,3-d]pyrimidin-4-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
4-Biphénylyl{4-[6-éthyl-2-(1-pipérazinyl)thiéno[2,3-d]pyrimidin-4-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [1,1'-biphenyl]-4-yl[4-[6-ethyl-2-(1-piperazinyl)thieno[2,3-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: 758.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.3±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 66.27
ACD/KOC (pH 7.4): 355.88
Polar Surface Area: 93 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 406.2±3.0 cm3

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