ChemSpider 2D Image | 2-{[3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide | C30H27N3O5S

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

  • Molecular FormulaC30H27N3O5S
  • Average mass541.617 Da
  • Monoisotopic mass541.167114 Da
  • ChemSpider ID2383645

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-(2,4-dimethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide [ACD/IUPAC Name]
2-{[3-Cyano-4-(3,4-diméthoxyphényl)-6-phényl-2-pyridinyl]sulfanyl}-N-(2,4-diméthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-phenyl-2-pyridinyl]thio]-N-(2,4-dimethoxyphenyl)- [ACD/Index Name]
2-[3-CYANO-4-(3,4-DIMETHOXYPHENYL)-6-PHENYLPYRIDIN-2-YL]SULFANYL-N-(2,4-DIMETHOXYPHENYL)ACETAMIDE

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

AG-690/13705148 [DBID]
BAS 01337717 [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: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.9±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3551.77
ACD/KOC (pH 5.5): 12104.06
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3553.58
ACD/KOC (pH 7.4): 12110.24
Polar Surface Area: 128 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 407.9±5.0 cm3

Click to predict properties on the Chemicalize site


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