ChemSpider 2D Image | 2-{8-[(4-Chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-ethoxyphenyl)acetamide | C22H20ClN5O3S

2-{8-[(4-Chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-ethoxyphenyl)acetamide

  • Molecular FormulaC22H20ClN5O3S
  • Average mass469.944 Da
  • Monoisotopic mass469.097534 Da
  • ChemSpider ID25186094

More details:

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

1,2,4-Triazolo[4,3-a]pyrazine-2(3H)-acetamide, 8-[[(4-chlorophenyl)methyl]thio]-N-(4-ethoxyphenyl)-3-oxo- [ACD/Index Name]
2-{8-[(4-Chlorbenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-ethoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-{8-[(4-Chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-ethoxyphenyl)acetamide [ACD/IUPAC Name]
2-{8-[(4-Chlorobenzyl)sulfanyl]-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl}-N-(4-éthoxyphényl)acétamide [French] [ACD/IUPAC Name]
1251707-15-9 [RN]
2-(8-((4-chlorobenzyl)thio)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)-N-(4-ethoxyphenyl)acetamide
2-(8-{[(4-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(4-ethoxyphenyl)acetamide
2-[8-(4-Chloro-benzylsulfanyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(4-ethoxy-phenyl)-acetamide

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: 1.684
Molar Refractivity: 126.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.59
ACD/KOC (pH 5.5): 2023.20
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 294.75
ACD/KOC (pH 7.4): 2038.11
Polar Surface Area: 112 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 332.1±7.0 cm3

Click to predict properties on the Chemicalize site


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