ChemSpider 2D Image | 2-{[6-(Hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide | C29H28N4O3S

2-{[6-(Hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID20350953

More details:

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

2-{[6-(Hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamid [German] [ACD/IUPAC Name]
2-{[6-(Hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide [ACD/IUPAC Name]
2-{[6-(Hydroxyméthyl)-9-méthyl-2-phényl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-mésitylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]thio]-N-(2,4,6-trimethylphenyl)- [ACD/Index Name]
2-((6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-mesitylacetamide
2-{[11-(hydroxymethyl)-14-methyl-5-phenyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
892378-64-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.3±31.5 °C
Index of Refraction: 1.694
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1921.99
ACD/KOC (pH 5.5): 7723.79
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1988.85
ACD/KOC (pH 7.4): 7992.45
Polar Surface Area: 123 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

Click to predict properties on the Chemicalize site


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