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

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

  • Molecular FormulaC20H20ClN5O3S2
  • Average mass477.987 Da
  • Monoisotopic mass477.069611 Da
  • ChemSpider ID28964374

More details:

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

Acetamide, N-(3-chloro-4-methoxyphenyl)-2-[[4,5-dihydro-4-(2-methylpropyl)-5-oxothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]thio]- [ACD/Index Name]
N-(3-Chlor-4-methoxyphenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-methoxyphenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(3-Chloro-4-méthoxyphényl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothiéno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
1189952-95-1 [RN]
N-(3-chloro-4-methoxyphenyl)-2-((4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
N-(3-chloro-4-methoxyphenyl)-2-[(4-isobutyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio]acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[8-(2-methylpropyl)-7-oxo-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl]sulfanyl}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: 1.726
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 720.04
ACD/KOC (pH 5.5): 3862.74
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 720.01
ACD/KOC (pH 7.4): 3862.54
Polar Surface Area: 143 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 60.1±7.0 dyne/cm
Molar Volume: 312.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement