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

Cyclobutyl[7-(5-methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone

  • Molecular FormulaC25H31NO4S
  • Average mass441.583 Da
  • Monoisotopic mass441.197388 Da
  • ChemSpider ID22140639

More details:

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

Cyclobutyl[7-(5-methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanon [German] [ACD/IUPAC Name]
Cyclobutyl[7-(5-methyl-2-thienyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methanone [ACD/IUPAC Name]
Cyclobutyl[7-(5-méthyl-2-thiényl)-9-(tétrahydro-2H-pyran-2-ylméthoxy)-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, cyclobutyl[2,3-dihydro-7-(5-methyl-2-thienyl)-9-[(tetrahydro-2H-pyran-2-yl)methoxy]-1,4-benzoxazepin-4(5H)-yl]- [ACD/Index Name]
4-(cyclobutylcarbonyl)-7-(5-methyl-2-thienyl)-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: 625.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 720.03
ACD/KOC (pH 5.5): 3862.72
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 720.03
ACD/KOC (pH 7.4): 3862.72
Polar Surface Area: 76 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 362.9±3.0 cm3

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