ChemSpider 2D Image | 9-Methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine | C23H25NO2S

9-Methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC23H25NO2S
  • Average mass379.515 Da
  • Monoisotopic mass379.160614 Da
  • ChemSpider ID22205988

More details:

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

1,4-Benzoxazepine, 2,3,4,5-tetrahydro-9-methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thienyl)methyl]- [ACD/Index Name]
9-Methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
9-Methoxy-7-(4-methylphenyl)-4-[(3-methyl-2-thienyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
9-Méthoxy-7-(4-méthylphényl)-4-[(3-méthyl-2-thiényl)méthyl]-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 265.2±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1057.58
ACD/KOC (pH 5.5): 3907.70
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2623.25
ACD/KOC (pH 7.4): 9692.72
Polar Surface Area: 50 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 325.7±3.0 cm3

Click to predict properties on the Chemicalize site


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