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

N-(4-Ethylphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID13147765

More details:

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

Acetamide, N-(4-ethylphenyl)-2-[[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]thio]- [ACD/Index Name]
N-(4-Ethylphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(4-Ethylphenyl)-2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(4-Éthylphényl)-2-{[6-(hydroxyméthyl)-9-méthyl-2-(4-méthylphényl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
892384-91-7 [RN]
N-(4-ethylphenyl)-2-((6-(hydroxymethyl)-9-methyl-2-(p-tolyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)acetamide
N-(4-ethylphenyl)-2-{[11-(hydroxymethyl)-14-methyl-5-(4-methylphenyl)-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl}acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.3±31.5 °C
Index of Refraction: 1.693
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2362.54
ACD/KOC (pH 5.5): 8954.92
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2443.22
ACD/KOC (pH 7.4): 9260.72
Polar Surface Area: 123 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

Click to predict properties on the Chemicalize site


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