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

N-Cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide

  • Molecular FormulaC33H34N4O4S
  • Average mass582.713 Da
  • Monoisotopic mass582.230103 Da
  • ChemSpider ID21545942

More details:

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

8H-Pyrazolo[3,4-e][1,4]thiazepine-8-acetamide, N-cyclopropyl-4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-1,4,6,7-tetrahydro-7-oxo-3-phenyl- [ACD/Index Name]
N-Cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamid [German] [ACD/IUPAC Name]
N-Cyclopropyl-2-[4-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]acetamide [ACD/IUPAC Name]
N-Cyclopropyl-2-[4-(3,4-diméthoxyphényl)-1-(2,3-diméthylphényl)-7-oxo-3-phényl-1,4,6,7-tétrahydro-8H-pyrazolo[3,4-e][1,4]thiazépin-8-yl]acétamide [French] [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: 852.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 469.5±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 164.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1605.73
ACD/KOC (pH 5.5): 6858.31
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1605.74
ACD/KOC (pH 7.4): 6858.35
Polar Surface Area: 111 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 441.3±7.0 cm3

Click to predict properties on the Chemicalize site


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