ChemSpider 2D Image | Methyl 2-chloro-5-({[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}amino)benzoate | C16H20ClN5O3

Methyl 2-chloro-5-({[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}amino)benzoate

  • Molecular FormulaC16H20ClN5O3
  • Average mass365.815 Da
  • Monoisotopic mass365.125458 Da
  • ChemSpider ID52567513

More details:

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

2-Chloro-5-({[1-(4-propyl-4H-1,2,4-triazol-3-yl)éthyl]carbamoyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-chloro-5-[[[[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]amino]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-chloro-5-({[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2-chlor-5-({[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]carbamoyl}amino)benzoat [German] [ACD/IUPAC Name]
methyl 2-chloro-5-[({[1-(4-propyl-4H-1,2,4-triazol-3-yl)ethyl]amino}carbonyl)amino]benzoate

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: 1.616
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.76
ACD/KOC (pH 5.5): 657.89
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.80
ACD/KOC (pH 7.4): 658.40
Polar Surface Area: 98 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 270.5±7.0 cm3

Click to predict properties on the Chemicalize site


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