ChemSpider 2D Image | 2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chloro-3-pyridinyl)acetamide | C21H23Cl2N5O2S

2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chloro-3-pyridinyl)acetamide

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID31186896

More details:

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

2-({5-[(2-Chlorophenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chloro-3-pyridinyl)acetamide [ACD/IUPAC Name]
2-({5-[(2-Chlorophénoxy)méthyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chloro-3-pyridinyl)acétamide [French] [ACD/IUPAC Name]
2-({5-[(2-Chlorphenoxy)methyl]-4-(3-pentanyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlor-3-pyridinyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-chloro-3-pyridinyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2699.83
ACD/KOC (pH 5.5): 9948.15
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2699.38
ACD/KOC (pH 7.4): 9946.51
Polar Surface Area: 107 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 349.7±7.0 cm3

Click to predict properties on the Chemicalize site


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