ChemSpider 2D Image | 2-{5-Chloro-2-methoxy-4-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]phenoxy}-N-(4-methylphenyl)acetamide | C27H29ClN6O3S

2-{5-Chloro-2-methoxy-4-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]phenoxy}-N-(4-methylphenyl)acetamide

  • Molecular FormulaC27H29ClN6O3S
  • Average mass553.076 Da
  • Monoisotopic mass552.171021 Da
  • ChemSpider ID76907841

More details:

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

2-{5-Chlor-2-methoxy-4-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]phenoxy}-N-(4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{5-Chloro-2-methoxy-4-[({3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}amino)methyl]phenoxy}-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
2-{5-Chloro-2-méthoxy-4-[({3-[(1-phényl-1H-tétrazol-5-yl)sulfanyl]propyl}amino)méthyl]phénoxy}-N-(4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[5-chloro-2-methoxy-4-[[[3-[(1-phenyl-1H-tetrazol-5-yl)thio]propyl]amino]methyl]phenoxy]-N-(4-methylphenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 12.40
ACD/KOC (pH 5.5): 46.39
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 626.69
ACD/KOC (pH 7.4): 2345.14
Polar Surface Area: 128 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 419.2±7.0 cm3

Click to predict properties on the Chemicalize site


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