ChemSpider 2D Image | 6-{[4-(4-Chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one | C21H21ClN2O2

6-{[4-(4-Chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC21H21ClN2O2
  • Average mass368.857 Da
  • Monoisotopic mass368.129150 Da
  • ChemSpider ID30824412

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[[4-(4-chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl]-2-methyl- [ACD/Index Name]
6-{[4-(4-Chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-{[4-(4-Chlorophényl)-3,6-dihydro-1(2H)-pyridinyl]méthyl}-2-méthyl-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]
6-{[4-(4-Chlorphenyl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-on [German] [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: 546.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 6.58
ACD/KOC (pH 5.5): 37.85
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 263.11
ACD/KOC (pH 7.4): 1513.55
Polar Surface Area: 42 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 293.6±3.0 cm3

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