ChemSpider 2D Image | 2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide | C21H18F2N4O2S2

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

  • Molecular FormulaC21H18F2N4O2S2
  • Average mass460.520 Da
  • Monoisotopic mass460.083923 Da
  • ChemSpider ID26308272

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-(3,4-difluorophenyl)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-(3,4-difluorophényl)acétamide [French] [ACD/IUPAC Name]
2-[(3-Butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-difluorphenyl)acetamid [German] [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-(3,4-difluorophenyl)- [ACD/Index Name]
1242902-62-0 [RN]
2-((3-butyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)thio)-N-(3,4-difluorophenyl)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-(3,4-difluorophenyl)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: 1.696
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 517.02
ACD/KOC (pH 5.5): 2972.11
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 563.86
ACD/KOC (pH 7.4): 3241.38
Polar Surface Area: 128 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 309.8±7.0 cm3

Click to predict properties on the Chemicalize site


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