ChemSpider 2D Image | N-(2,6-Dimethylphenyl)-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-(2,6-Dimethylphenyl)-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 ID18396351

More details:

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

Acetamide, N-(2,6-dimethylphenyl)-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-(2,6-Dimethylphenyl)-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-(2,6-Dimethylphenyl)-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-(2,6-Diméthylphényl)-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]
892384-55-3 [RN]
N-(2,6-dimethylphenyl)-2-((6-(hydroxymethyl)-9-methyl-2-(p-tolyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)acetamide
N-(2,6-dimethylphenyl)-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: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.4±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): 1922.93
ACD/KOC (pH 5.5): 7727.55
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1988.86
ACD/KOC (pH 7.4): 7992.50
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


Advertisement