ChemSpider 2D Image | 3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one | C29H32N4O5S2

3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID22474343

More details:

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

3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphényl)éthyl]-2-({2-[4-(2-méthoxyphényl)-1-pipérazinyl]-2-oxoéthyl}sulfanyl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]- [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: 773.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.7±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 159.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 125.57
ACD/KOC (pH 5.5): 1106.21
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 125.71
ACD/KOC (pH 7.4): 1107.49
Polar Surface Area: 137 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 433.6±7.0 cm3

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