ChemSpider 2D Image | 2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide | C22H21ClN4O2S2

2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide

  • Molecular FormulaC22H21ClN4O2S2
  • Average mass473.011 Da
  • Monoisotopic mass472.079437 Da
  • ChemSpider ID26308269

More details:

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

2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chlor-4-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thiéno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-chloro-4-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(3-butyl-3,4-dihydro-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)thio]-N-(2-chloro-4-methylphenyl)- [ACD/Index Name]
1243043-58-4 [RN]
2-((3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)thio)-N-(2-chloro-4-methylphenyl)acetamide
2-({5-butyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl}sulfanyl)-N-(2-chloro-4-methylphenyl)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: 1.710
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1513.53
ACD/KOC (pH 5.5): 6410.89
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1651.56
ACD/KOC (pH 7.4): 6995.54
Polar Surface Area: 128 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

Click to predict properties on the Chemicalize site


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