ChemSpider 2D Image | N-(4-Chlorobenzyl)-7-(2,3-dihydroxypropyl)-2-({[(2R)-2-hydroxy-2-(2-pyridinyl)ethyl](methyl)amino}methyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide | C27H29ClN4O5S

N-(4-Chlorobenzyl)-7-(2,3-dihydroxypropyl)-2-({[(2R)-2-hydroxy-2-(2-pyridinyl)ethyl](methyl)amino}methyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

  • Molecular FormulaC27H29ClN4O5S
  • Average mass557.061 Da
  • Monoisotopic mass556.154724 Da
  • ChemSpider ID8251957

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-(4-Chlorbenzyl)-7-(2,3-dihydroxypropyl)-2-({[(2R)-2-hydroxy-2-(2-pyridinyl)ethyl](methyl)amino}methyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridin-5-carboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-7-(2,3-dihydroxypropyl)-2-({[(2R)-2-hydroxy-2-(2-pyridinyl)ethyl](methyl)amino}methyl)-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-7-(2,3-dihydroxypropyl)-2-({[(2R)-2-hydroxy-2-(2-pyridinyl)éthyl](méthyl)amino}méthyl)-4-oxo-4,7-dihydrothiéno[2,3-b]pyridine-5-carboxamide [French] [ACD/IUPAC Name]
Thieno[2,3-b]pyridine-5-carboxamide, N-[(4-chlorophenyl)methyl]-7-(2,3-dihydroxypropyl)-4,7-dihydro-2-[[[(2R)-2-hydroxy-2-(2-pyridinyl)ethyl]methylamino]methyl]-4-oxo- [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: 678.7±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: 1.667
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.30
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 62.96
Polar Surface Area: 154 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 392.0±3.0 cm3

Click to predict properties on the Chemicalize site


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