ChemSpider 2D Image | 2-{[3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2-methoxyphenyl)acetamide | C29H25N3O4S

2-{[3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2-methoxyphenyl)acetamide

  • Molecular FormulaC29H25N3O4S
  • Average mass511.591 Da
  • Monoisotopic mass511.156586 Da
  • ChemSpider ID1370781

More details:

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

2-{[3-Cyan-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-{[3-Cyano-4-(3,4-diméthoxyphényl)-6-phényl-2-pyridinyl]sulfanyl}-N-(2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
337499-41-9 [RN]
Acetamide, 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2-methoxyphenyl)- [ACD/Index Name]
2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
2-[3-Cyano-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridin-2-ylsulfanyl]-N-(2-methoxy-phenyl)-acetamide
MFCD02046974

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

AG-690/13705146 [DBID]
BAS 01337715 [DBID]
ZINC02064091 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5658.04
ACD/KOC (pH 5.5): 16894.30
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5658.41
ACD/KOC (pH 7.4): 16895.40
Polar Surface Area: 119 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 386.3±5.0 cm3

Click to predict properties on the Chemicalize site


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