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Search term: XOUXDEHKIJCVKM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5-Ethoxy-4-methoxy-2-nitrophenyl)[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone | C21H23N7O5

(5-Ethoxy-4-methoxy-2-nitrophenyl)[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone

  • Molecular FormulaC21H23N7O5
  • Average mass453.451 Da
  • Monoisotopic mass453.176056 Da
  • ChemSpider ID22453643

More details:

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

(5-Ethoxy-4-methoxy-2-nitrophenyl)[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
(5-Ethoxy-4-methoxy-2-nitrophenyl)[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methanone [ACD/IUPAC Name]
(5-Éthoxy-4-méthoxy-2-nitrophényl)[4-(1-phényl-1H-tétrazol-5-yl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, (5-ethoxy-4-methoxy-2-nitrophenyl)[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.9±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.27
ACD/KOC (pH 5.5): 244.93
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.27
ACD/KOC (pH 7.4): 244.95
Polar Surface Area: 131 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 316.6±7.0 cm3

Click to predict properties on the Chemicalize site


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