ChemSpider 2D Image | 14-Chloro-7-[3-(3-hydroxy-1,2-oxazol-5-yl)propanoyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione | C20H23ClN4O6

14-Chloro-7-[3-(3-hydroxy-1,2-oxazol-5-yl)propanoyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione

  • Molecular FormulaC20H23ClN4O6
  • Average mass450.873 Da
  • Monoisotopic mass450.130615 Da
  • ChemSpider ID90301973

More details:

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

14-Chlor-7-[3-(3-hydroxy-1,2-oxazol-5-yl)propanoyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecin-5,12-dion [German] [ACD/IUPAC Name]
14-Chloro-7-[3-(3-hydroxy-1,2-oxazol-5-yl)propanoyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotetradecine-5,12-dione [ACD/IUPAC Name]
14-Chloro-7-[3-(3-hydroxy-1,2-oxazol-5-yl)propanoyl]-3,4,6,7,8,9,10,11-octahydro-2H-1,4,7,11-benzoxatriazacyclotétradécine-5,12-dione [French] [ACD/IUPAC Name]
2H-1,4,7,11-Benzoxatriazacyclotetradecine-5,12-dione, 14-chloro-3,4,6,7,8,9,10,11-octahydro-7-[3-(3-hydroxy-5-isoxazolyl)-1-oxopropyl]- [ACD/Index 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: 877.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 484.3±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 109.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.56
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.37
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.83
Polar Surface Area: 134 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 340.2±3.0 cm3

Click to predict properties on the Chemicalize site


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