ChemSpider 2D Image | 2-[(4-Butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide | C20H20ClN5O3S2

2-[(4-Butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide

  • Molecular FormulaC20H20ClN5O3S2
  • Average mass477.987 Da
  • Monoisotopic mass477.069611 Da
  • ChemSpider ID28964404

More details:

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

2-[(4-Butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chlor-2-methoxyphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(4-Butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide [ACD/IUPAC Name]
2-[(4-Butyl-5-oxo-4,5-dihydrothiéno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(5-chloro-2-méthoxyphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio]-N-(5-chloro-2-methoxyphenyl)- [ACD/Index Name]
1185006-98-7 [RN]
2-((4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(5-chloro-2-methoxyphenyl)acetamide
2-({8-butyl-7-oxo-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl}sulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
2-[(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio]-N-(5-chloro-2-methoxyphenyl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1525.96
ACD/KOC (pH 5.5): 6612.59
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1525.89
ACD/KOC (pH 7.4): 6612.30
Polar Surface Area: 143 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 61.5±7.0 dyne/cm
Molar Volume: 313.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement