ChemSpider 2D Image | N-(3-Cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide | C23H20F3N5O2S2

N-(3-Cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide

  • Molecular FormulaC23H20F3N5O2S2
  • Average mass519.562 Da
  • Monoisotopic mass519.101074 Da
  • ChemSpider ID68291554

More details:

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

Acetamide, N-(3-cyano-4,5,6,7-tetrahydro-6-methylthieno[2,3-c]pyridin-2-yl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]- [ACD/Index Name]
N-(3-Cyan-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-Cyano-6-méthyl-4,5,6,7-tétrahydrothiéno[2,3-c]pyridin-2-yl)-2-{[4-(4-méthoxyphényl)-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 708.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 17.92
ACD/KOC (pH 5.5): 119.68
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 272.14
ACD/KOC (pH 7.4): 1817.12
Polar Surface Area: 145 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 350.0±5.0 cm3

Click to predict properties on the Chemicalize site


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