ChemSpider 2D Image | 2-[1-(4-Methoxyphenyl)-4-(2-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(tetrahydro-2-furanylmethyl)acetamide | C33H34N4O4S

2-[1-(4-Methoxyphenyl)-4-(2-methylphenyl)-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 FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID21546691

More details:

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

2-[1-(4-Methoxyphenyl)-4-(2-methylphenyl)-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-(4-Methoxyphenyl)-4-(2-methylphenyl)-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-(4-Méthoxyphényl)-4-(2-méthylphényl)-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, 1,4,6,7-tetrahydro-1-(4-methoxyphenyl)-4-(2-methylphenyl)-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: 857.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.3±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 165.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2020.28
ACD/KOC (pH 5.5): 8083.69
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2020.30
ACD/KOC (pH 7.4): 8083.77
Polar Surface Area: 111 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 443.1±7.0 cm3

Click to predict properties on the Chemicalize site


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