ChemSpider 2D Image | N-{2-Chloro-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamine | C25H25ClN6O4S

N-{2-Chloro-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamine

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID76908049

More details:

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

Benzenemethanamine, 2-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]-N-[2-[(1-phenyl-1H-tetrazol-5-yl)thio]ethyl]- [ACD/Index Name]
N-{2-Chlor-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamin [German] [ACD/IUPAC Name]
N-{2-Chloro-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanamine [ACD/IUPAC Name]
N-{2-Chloro-5-éthoxy-4-[(4-nitrobenzyl)oxy]benzyl}-2-[(1-phényl-1H-tétrazol-5-yl)sulfanyl]éthanamine [French] [ACD/IUPAC 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: 726.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.2±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 377.18
ACD/KOC (pH 5.5): 1054.30
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5808.06
ACD/KOC (pH 7.4): 16234.85
Polar Surface Area: 145 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 391.3±7.0 cm3

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