ChemSpider 2D Image | oxapadol | C17H14N2O2

oxapadol

  • Molecular FormulaC17H14N2O2
  • Average mass278.305 Da
  • Monoisotopic mass278.105530 Da
  • ChemSpider ID30782654

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,12S)-1-Phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraen [German] [ACD/IUPAC Name]
(1R,12S)-1-Phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene [ACD/IUPAC Name]
(1R,12S)-1-Phényl-14,15-dioxa-3,10-diazatétracyclo[10.2.1.02,10.04,9]pentadéca-2,4,6,8-tétraène [French] [ACD/IUPAC Name]
1,4-Epoxy-1H,3H-[1,4]oxazepino[4,3-a]benzimidazole, 4,5-dihydro-1-phenyl-, (1R,4S)- [ACD/Index Name]
56969-22-3 [RN]
oxapadol [INN]
[56969-22-3] [RN]
260-484-6 [EINECS]
MFCD01729430
UNII-3LAB817795

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

Density: 1.4±0.1 g/cm3
Boiling Point: 511.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 262.9±30.1 °C
Index of Refraction: 1.725
Molar Refractivity: 78.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 161.31
ACD/KOC (pH 5.5): 1245.81
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 199.19
ACD/KOC (pH 7.4): 1538.33
Polar Surface Area: 36 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 197.6±7.0 cm3

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