ChemSpider 2D Image | Vinyl 2-[(phenylacetyl)amino]-6-(vinylcarbamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C21H21N3O4S

Vinyl 2-[(phenylacetyl)amino]-6-(vinylcarbamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC21H21N3O4S
  • Average mass411.474 Da
  • Monoisotopic mass411.125275 Da
  • ChemSpider ID26327046

More details:

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

2-[(2-Phénylacétyl)amino]-6-(vinylcarbamoyl)-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de vinyle [French] [ACD/IUPAC Name]
Ethenyl 6-(Ethenylcarbamoyl)-2-[(Phenylacetyl)amino]-4,5,6,7-Tetrahydrothieno[2,3-C]pyridine-3-Carboxylate
Thieno[2,3-c]pyridine-3-carboxylic acid, 6-[(ethenylamino)carbonyl]-4,5,6,7-tetrahydro-2-[(2-phenylacetyl)amino]-, ethenyl ester [ACD/Index Name]
Vinyl 2-[(phenylacetyl)amino]-6-(vinylcarbamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Vinyl-2-[(phenylacetyl)amino]-6-(vinylcarbamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 112.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.04
ACD/KOC (pH 5.5): 913.39
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.02
ACD/KOC (pH 7.4): 913.22
Polar Surface Area: 116 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

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