ChemSpider 2D Image | 2-[4-(2-Methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-pyridinylmethyl)acetamide | C34H31N5O2S

2-[4-(2-Methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-pyridinylmethyl)acetamide

  • Molecular FormulaC34H31N5O2S
  • Average mass573.707 Da
  • Monoisotopic mass573.219849 Da
  • ChemSpider ID29241410

More details:

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

2-[4-(2-Methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
2-[4-(2-Methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(2-pyridinylmethyl)acetamide [ACD/IUPAC Name]
2-[4-(2-Méthylphényl)-1-(4-méthylphényl)-7-oxo-3-phényl-1,4,6,7-tétrahydro-8H-pyrazolo[3,4-e][1,4]thiazépin-8-yl]-N-(2-pyridinylméthyl)acétamide [French] [ACD/IUPAC Name]
8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, 1,4,6,7-tetrahydro-4-(2-methylphenyl)-1-(4-methylphenyl)-7-oxo-3-phenyl-N-(2-pyridinylmethyl)- [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: 860.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.1±3.0 kJ/mol
Flash Point: 474.5±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 170.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4377.33
ACD/KOC (pH 5.5): 13880.25
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4576.88
ACD/KOC (pH 7.4): 14512.98
Polar Surface Area: 105 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 450.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement