ChemSpider 2D Image | 2-[1-(2,3-Dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(tetrahydro-2-furanylmethyl)acetamide | C34H36N4O4S

2-[1-(2,3-Dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(tetrahydro-2-furanylmethyl)acetamide

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID21546929

More details:

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

2-[1-(2,3-Dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(tetrahydro-2-furanylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[1-(2,3-Dimethylphenyl)-4-(2-methoxyphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(tetrahydro-2-furanylmethyl)acetamide [ACD/IUPAC Name]
2-[1-(2,3-Diméthylphényl)-4-(2-méthoxyphényl)-7-oxo-3-phényl-1,4,6,7-tétrahydro-8H-pyrazolo[3,4-e][1,4]thiazépin-8-yl]-N-(tétrahydro-2-furanylméthyl)acétamide [French] [ACD/IUPAC Name]
8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, 1-(2,3-dimethylphenyl)-1,4,6,7-tetrahydro-4-(2-methoxyphenyl)-7-oxo-3-phenyl-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index 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: 865.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.3±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 169.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2026.17
ACD/KOC (pH 5.5): 8100.55
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2026.19
ACD/KOC (pH 7.4): 8100.61
Polar Surface Area: 111 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 458.2±7.0 cm3

Click to predict properties on the Chemicalize site


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