ChemSpider 2D Image | N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide | C22H22ClF3N4O2S

N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide

  • Molecular FormulaC22H22ClF3N4O2S
  • Average mass498.949 Da
  • Monoisotopic mass498.110413 Da
  • ChemSpider ID28930137

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-3(4H)-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(dimethylamino)methyl]-5,6,7,8-tetrahydro-4-oxo- [ACD/Index Name]
N-[2-Chlor-5-(trifluormethyl)phenyl]-2-{2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}acetamid [German] [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluoromethyl)phenyl]-2-{2-[(dimethylamino)methyl]-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluorométhyl)phényl]-2-{2-[(diméthylamino)méthyl]-4-oxo-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl}acétamide [French] [ACD/IUPAC 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: 1.649
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 11.23
ACD/KOC (pH 5.5): 55.27
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 451.33
ACD/KOC (pH 7.4): 2222.27
Polar Surface Area: 93 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 334.1±7.0 cm3

Click to predict properties on the Chemicalize site


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