ChemSpider 2D Image | N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[4-(~2~H_5_)phenylbutoxy]benzamide | C27H18D5N5O4

N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[4-(2H5)phenylbutoxy]benzamide

  • Molecular FormulaC27H18D5N5O4
  • Average mass486.533 Da
  • Monoisotopic mass486.206390 Da
  • ChemSpider ID48063171

  • Non-standard isotope - Non-standard isotope

More details:

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

Benzamide, N-[4-oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl]-4-[4-(phenyl-d5)butoxy]- [ACD/Index Name]
N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[4-(2H5)phenylbutoxy]benzamid [German] [ACD/IUPAC Name]
N-[4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromen-8-yl]-4-[4-(2H5)phenylbutoxy]benzamide [ACD/IUPAC Name]
N-[4-Oxo-2-(1H-tétrazol-5-yl)-4H-chromén-8-yl]-4-[4-(2H5)phénylbutoxy]benzamide [French] [ACD/IUPAC Name]
1216719-50-4 [RN]
N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-[4-(2,3,4,5,6-pentadeuteriophenyl)butoxy]benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 132.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 82.10
ACD/KOC (pH 5.5): 539.61
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 31.52
Polar Surface Area: 119 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 350.4±3.0 cm3

Click to predict properties on the Chemicalize site


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