ChemSpider 2D Image | N-{2-Chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine | C25H25ClN6O4S

N-{2-Chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID34005299

More details:

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

Benzenemethanamine, 2-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]-N-[3-[(1-phenyl-1H-tetrazol-5-yl)thio]propyl]- [ACD/Index Name]
N-{2-Chlor-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamin [German] [ACD/IUPAC Name]
N-{2-Chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-1-propanamine [ACD/IUPAC Name]
N-{2-Chloro-5-méthoxy-4-[(4-nitrobenzyl)oxy]benzyl}-3-[(1-phényl-1H-tétrazol-5-yl)sulfanyl]-1-propanamine [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: 729.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.7±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: 6.30
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 25.64
ACD/KOC (pH 5.5): 76.51
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1303.54
ACD/KOC (pH 7.4): 3889.38
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

Click to predict properties on the Chemicalize site


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