ChemSpider 2D Image | 2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(2-chlorophenyl)-3-(3-hydroxy-1-azetidinyl)-1H-1,2,4-triazol-5-yl]acetamide | C21H18Cl2N6O4

2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(2-chlorophenyl)-3-(3-hydroxy-1-azetidinyl)-1H-1,2,4-triazol-5-yl]acetamide

  • Molecular FormulaC21H18Cl2N6O4
  • Average mass489.311 Da
  • Monoisotopic mass488.076660 Da
  • ChemSpider ID123142157

More details:

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

2-(6-Chlor-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(2-chlorphenyl)-3-(3-hydroxy-1-azetidinyl)-1H-1,2,4-triazol-5-yl]acetamid [German] [ACD/IUPAC Name]
2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(2-chlorophenyl)-3-(3-hydroxy-1-azetidinyl)-1H-1,2,4-triazol-5-yl]acetamide [ACD/IUPAC Name]
2-(6-Chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-(2-chlorophényl)-3-(3-hydroxy-1-azétidinyl)-1H-1,2,4-triazol-5-yl]acétamide [French] [ACD/IUPAC Name]
4H-1,4-Benzoxazine-4-acetamide, 6-chloro-N-[1-(2-chlorophenyl)-3-(3-hydroxy-1-azetidinyl)-1H-1,2,4-triazol-5-yl]-2,3-dihydro-3-oxo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.768
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.49
ACD/KOC (pH 5.5): 500.86
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.49
ACD/KOC (pH 7.4): 500.86
Polar Surface Area: 113 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 71.5±7.0 dyne/cm
Molar Volume: 291.2±7.0 cm3

Click to predict properties on the Chemicalize site


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