ChemSpider 2D Image | 1-[7-(5-Methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one | C25H31NO4S

1-[7-(5-Methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one

  • Molecular FormulaC25H31NO4S
  • Average mass441.583 Da
  • Monoisotopic mass441.197388 Da
  • ChemSpider ID23067947

More details:

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

1-[7-(5-Methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-on [German] [ACD/IUPAC Name]
1-[7-(5-Methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one [ACD/IUPAC Name]
1-[7-(5-Méthyl-2-thiényl)-9-(tétrahydro-2H-pyran-2-ylméthoxy)-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl]-4-pentén-1-one [French] [ACD/IUPAC Name]
4-Penten-1-one, 1-[2,3-dihydro-7-(5-methyl-2-thienyl)-9-[(tetrahydro-2H-pyran-2-yl)methoxy]-1,4-benzoxazepin-4(5H)-yl]- [ACD/Index Name]
7-(5-methyl-2-thienyl)-4-(4-pentenoyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 123.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 923.07
ACD/KOC (pH 5.5): 4614.41
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 923.07
ACD/KOC (pH 7.4): 4614.41
Polar Surface Area: 76 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement