ChemSpider 2D Image | 6-Methyl-5-(2-methylbutyl)-2-({[5-(1-pyrrolidinylsulfonyl)-2-furyl]methyl}sulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one | C21H27N3O4S3

6-Methyl-5-(2-methylbutyl)-2-({[5-(1-pyrrolidinylsulfonyl)-2-furyl]methyl}sulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC21H27N3O4S3
  • Average mass481.652 Da
  • Monoisotopic mass481.116364 Da
  • ChemSpider ID33553248

More details:

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

6-Methyl-5-(2-methylbutyl)-2-({[5-(1-pyrrolidinylsulfonyl)-2-furyl]methyl}sulfanyl)thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-Methyl-5-(2-methylbutyl)-2-({[5-(1-pyrrolidinylsulfonyl)-2-furyl]methyl}sulfanyl)thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-Méthyl-5-(2-méthylbutyl)-2-({[5-(1-pyrrolidinylsulfonyl)-2-furyl]méthyl}sulfanyl)thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 6-methyl-5-(2-methylbutyl)-2-[[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methyl]thio]- [ACD/Index Name]

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: 1.699
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 481.19
ACD/KOC (pH 5.5): 2894.68
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 479.55
ACD/KOC (pH 7.4): 2884.84
Polar Surface Area: 154 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.9±7.0 dyne/cm
Molar Volume: 327.0±7.0 cm3

Click to predict properties on the Chemicalize site


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