ChemSpider 2D Image | Ethyl 9-(4-chlorophenyl)-7-methyl-4-(4-morpholinyl)-2-(4-morpholinylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-carboxylate | C28H30ClN5O4S

Ethyl 9-(4-chlorophenyl)-7-methyl-4-(4-morpholinyl)-2-(4-morpholinylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-carboxylate

  • Molecular FormulaC28H30ClN5O4S
  • Average mass568.087 Da
  • Monoisotopic mass567.170715 Da
  • ChemSpider ID9810239

More details:

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

9-(4-Chlorophényl)-7-méthyl-4-(4-morpholinyl)-2-(4-morpholinylméthyl)pyrido[3',2':4,5]thiéno[3,2-d]pyrimidine-8-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 9-(4-chlorophenyl)-7-methyl-4-(4-morpholinyl)-2-(4-morpholinylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-carboxylate [ACD/IUPAC Name]
Ethyl-9-(4-chlorphenyl)-7-methyl-4-(4-morpholinyl)-2-(4-morpholinylmethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-carboxylat [German] [ACD/IUPAC Name]
Pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-8-carboxylic acid, 9-(4-chlorophenyl)-7-methyl-4-(4-morpholinyl)-2-(4-morpholinylmethyl)-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.3±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 153.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 335.65
ACD/KOC (pH 5.5): 2211.79
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.04
ACD/KOC (pH 7.4): 2300.03
Polar Surface Area: 118 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 62.8±3.0 dyne/cm
Molar Volume: 415.5±3.0 cm3

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