ChemSpider 2D Image | (4-Benzyl-1-piperazinyl)[5-methyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl]methanone | C29H32N6OS

(4-Benzyl-1-piperazinyl)[5-methyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl]methanone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID20466842

More details:

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

(4-Benzyl-1-piperazinyl)[5-methyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl]methanon [German] [ACD/IUPAC Name]
(4-Benzyl-1-piperazinyl)[5-methyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl]methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipérazinyl)[5-méthyl-4-(4-phényl-1-pipérazinyl)thiéno[2,3-d]pyrimidin-6-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-methyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidin-6-yl][4-(phenylmethyl)-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: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.7±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 57.20
ACD/KOC (pH 5.5): 329.72
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 521.72
ACD/KOC (pH 7.4): 3007.17
Polar Surface Area: 84 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

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