ChemSpider 2D Image | 3-Methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one | C25H23N3O3S2

3-Methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC25H23N3O3S2
  • Average mass477.598 Da
  • Monoisotopic mass477.118073 Da
  • ChemSpider ID22525851

More details:

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

3-Methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-Methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-Méthyl-2-{[2-(6-méthyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoéthyl]sulfanyl}-7-(4-méthylphényl)thiéno[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-[[2-(2,3-dihydro-6-methyl-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]-3-methyl-7-(4-methylphenyl)- [ACD/Index Name]
[1105196-93-7] [RN]
1105196-93-7 [RN]
3-methyl-2-((2-(6-methyl-2H-benzo[b][1,4]oxazin-4(3H)-yl)-2-oxoethyl)thio)-7-(p-tolyl)thieno[3,2-d]pyrimidin-4(3H)-one
3-Methyl-2-[2-(6-methyl-2,3-dihydro-benzo[1,4]oxazin-4-yl)-2-oxo-ethylsulfanyl]-7-p-tolyl-3H-thieno[3,2-d]pyrimidin-4-one
3-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]thio}-7-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
3-methyl-2-{[2-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-7-(4-methylphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 717.1±70.0 °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: 387.5±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 134.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 924.74
ACD/KOC (pH 5.5): 4620.27
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 924.82
ACD/KOC (pH 7.4): 4620.65
Polar Surface Area: 116 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 345.8±7.0 cm3

Click to predict properties on the Chemicalize site


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