ChemSpider 2D Image | 3-(3-Methoxyphenyl)-2-({[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one | C21H15N5O3S2

3-(3-Methoxyphenyl)-2-({[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H15N5O3S2
  • Average mass449.505 Da
  • Monoisotopic mass449.061615 Da
  • ChemSpider ID22279377

More details:

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

3-(3-Methoxyphenyl)-2-({[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(3-Methoxyphenyl)-2-({[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(3-Méthoxyphényl)-2-({[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]méthyl}sulfanyl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 3-(3-methoxyphenyl)-2-[[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]thio]- [ACD/Index Name]
1040640-23-0 [RN]
3-(3-methoxyphenyl)-2-(((3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)thio)thieno[3,2-d]pyrimidin-4(3H)-one
3-(3-methoxyphenyl)-2-({[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
3-(3-methoxyphenyl)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
3-(3-methoxyphenyl)-2-{[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]thio}thieno[3,2-d]pyrimidin-4(3H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 689.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.5±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.63
ACD/KOC (pH 5.5): 1640.36
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.63
ACD/KOC (pH 7.4): 1640.36
Polar Surface Area: 147 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


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