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

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

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID20201472

More details:

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

(4-Benzyl-1-piperidinyl){5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}methanon [German] [ACD/IUPAC Name]
(4-Benzyl-1-piperidinyl){5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl}methanone [ACD/IUPAC Name]
(4-Benzyl-1-pipéridinyl){5-méthyl-4-[4-(2-pyridinyl)-1-pipérazinyl]thiéno[2,3-d]pyrimidin-6-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [5-methyl-4-[4-(2-pyridinyl)-1-piperazinyl]thieno[2,3-d]pyrimidin-6-yl][4-(phenylmethyl)-1-piperidinyl]- [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: 739.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 17.41
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 105.65
ACD/KOC (pH 7.4): 487.20
Polar Surface Area: 94 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 399.9±3.0 cm3

Click to predict properties on the Chemicalize site


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