ChemSpider 2D Image | 2-{[3-Cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}-N-(3-nitrophenyl)propanamide | C29H24N4O4S

2-{[3-Cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}-N-(3-nitrophenyl)propanamide

  • Molecular FormulaC29H24N4O4S
  • Average mass524.590 Da
  • Monoisotopic mass524.151855 Da
  • ChemSpider ID2379351

More details:

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

2-{[3-Cyan-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}-N-(3-nitrophenyl)propanamid [German] [ACD/IUPAC Name]
2-{[3-Cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]sulfanyl}-N-(3-nitrophenyl)propanamide [ACD/IUPAC Name]
2-{[3-Cyano-6-(4-éthoxyphényl)-4-phényl-2-pyridinyl]sulfanyl}-N-(3-nitrophényl)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[3-cyano-6-(4-ethoxyphenyl)-4-phenyl-2-pyridinyl]thio]-N-(3-nitrophenyl)- [ACD/Index Name]
2-{[3-CYANO-6-(4-ETHOXYPHENYL)-4-PHENYLPYRIDIN-2-YL]SULFANYL}-N-(3-NITROPHENYL)PROPANAMIDE

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

BAS 01118039 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 742.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 402.7±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23210.42
ACD/KOC (pH 5.5): 46402.52
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23210.09
ACD/KOC (pH 7.4): 46401.86
Polar Surface Area: 146 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 386.8±5.0 cm3

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