ChemSpider 2D Image | Methyl 8-(butylamino)-2-(methylsulfanyl)-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylate | C20H22N4O2S

Methyl 8-(butylamino)-2-(methylsulfanyl)-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylate

  • Molecular FormulaC20H22N4O2S
  • Average mass382.479 Da
  • Monoisotopic mass382.146332 Da
  • ChemSpider ID30659493

More details:

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

8-(Butylamino)-2-(méthylsulfanyl)-4-phénylpyrido[3,2-d]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 8-(butylamino)-2-(methylsulfanyl)-4-phenylpyrido[3,2-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-8-(butylamino)-2-(methylsulfanyl)-4-phenylpyrido[3,2-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Pyrido[3,2-d]pyrimidine-6-carboxylic acid, 8-(butylamino)-2-(methylthio)-4-phenyl-, methyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 596.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1618.04
ACD/KOC (pH 5.5): 6893.23
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1620.22
ACD/KOC (pH 7.4): 6902.53
Polar Surface Area: 102 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 299.8±5.0 cm3

Click to predict properties on the Chemicalize site


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