ChemSpider 2D Image | 2-({4-[4-(Benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl}sulfanyl)-N-(2-nitrophenyl)acetamide | C27H22N4O5S

2-({4-[4-(Benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl}sulfanyl)-N-(2-nitrophenyl)acetamide

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID21668878

More details:

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

2-({4-[4-(Benzyloxy)phenyl]-3-cyan-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl}sulfanyl)-N-(2-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-({4-[4-(Benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl}sulfanyl)-N-(2-nitrophenyl)acetamide [ACD/IUPAC Name]
2-({4-[4-(Benzyloxy)phényl]-3-cyano-6-oxo-1,4,5,6-tétrahydro-2-pyridinyl}sulfanyl)-N-(2-nitrophényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-6-oxo-4-[4-(phenylmethoxy)phenyl]-2-pyridinyl]thio]-N-(2-nitrophenyl)- [ACD/Index Name]
2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2-nitrophenyl)acetamide
2-[4-(4-Benzyloxy-phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydro-pyridin-2-ylsulfanyl]-N-(2-nitro-phenyl)-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: 808.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.7±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4330.80
ACD/KOC (pH 5.5): 13952.40
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4329.96
ACD/KOC (pH 7.4): 13949.66
Polar Surface Area: 162 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 363.6±5.0 cm3

Click to predict properties on the Chemicalize site


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