ChemSpider 2D Image | 1-Benzyl 6-ethyl 7-[(diethylamino)methyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrido[3',2':4,5]thieno[2,3-b]pyridine-1,6(2H)-dicarboxylate | C34H39N3O6S

1-Benzyl 6-ethyl 7-[(diethylamino)methyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrido[3',2':4,5]thieno[2,3-b]pyridine-1,6(2H)-dicarboxylate

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID8755094

More details:

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

1-Benzyl 6-ethyl 7-[(diethylamino)methyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrido[3',2':4,5]thieno[2,3-b]pyridine-1,6(2H)-dicarboxylate [ACD/IUPAC Name]
1-Benzyl-6-ethyl-7-[(diethylamino)methyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydropyrido[3',2':4,5]thieno[2,3-b]pyridin-1,6(2H)-dicarboxylat [German] [ACD/IUPAC Name]
7-[(Diéthylamino)méthyl]-5-(3,4-diméthoxyphényl)-3,4-dihydropyrido[3',2':4,5]thiéno[2,3-b]pyridine-1,6(2H)-dicarboxylate de 1-benzyle et de 6-éthyle [French] [ACD/IUPAC Name]
Thieno[2,3-b:5,4-b']dipyridine-1,6(2H)-dicarboxylic acid, 7-[(diethylamino)methyl]-5-(3,4-dimethoxyphenyl)-3,4-dihydro-, 6-ethyl 1-(phenylmethyl) ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.95
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 431.43
ACD/KOC (pH 5.5): 558.06
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 22029.84
ACD/KOC (pH 7.4): 28495.59
Polar Surface Area: 119 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 499.7±3.0 cm3

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