ChemSpider 2D Image | 2-{2-[(2-Chlorobenzyl)sulfanyl]-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(3-chlorophenyl)acetamide | C20H17Cl2N5O2S

2-{2-[(2-Chlorobenzyl)sulfanyl]-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(3-chlorophenyl)acetamide

  • Molecular FormulaC20H17Cl2N5O2S
  • Average mass462.352 Da
  • Monoisotopic mass461.048004 Da
  • ChemSpider ID81423153

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-acetamide, N-(3-chlorophenyl)-2-[[(2-chlorophenyl)methyl]thio]-4,5,6,7-tetrahydro-5-oxo- [ACD/Index Name]
2-{2-[(2-Chlorbenzyl)sulfanyl]-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(3-chlorphenyl)acetamid [German] [ACD/IUPAC Name]
2-{2-[(2-Chlorobenzyl)sulfanyl]-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(3-chlorophenyl)acetamide [ACD/IUPAC Name]
2-{2-[(2-Chlorobenzyl)sulfanyl]-5-oxo-4,5,6,7-tétrahydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}-N-(3-chlorophényl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1048.03
ACD/KOC (pH 5.5): 5053.37
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1048.03
ACD/KOC (pH 7.4): 5053.36
Polar Surface Area: 114 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 297.6±7.0 cm3

Click to predict properties on the Chemicalize site


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