ChemSpider 2D Image | N-Ethyl-3-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)propanamide | C24H25F3N4O3S

N-Ethyl-3-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)propanamide

  • Molecular FormulaC24H25F3N4O3S
  • Average mass506.540 Da
  • Monoisotopic mass506.159943 Da
  • ChemSpider ID21955367

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-2-propanamide, N-ethyl-3,4,5,6,7,8-hexahydro-4-oxo-N-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]- [ACD/Index Name]
N-Ethyl-3-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(2-oxo-2-{[2-(trifluormethyl)phenyl]amino}ethyl)propanamid [German] [ACD/IUPAC Name]
N-Ethyl-3-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-(2-oxo-2-{[2-(trifluoromethyl)phenyl]amino}ethyl)propanamide [ACD/IUPAC Name]
N-Éthyl-3-(4-oxo-1,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl)-N-(2-oxo-2-{[2-(trifluorométhyl)phényl]amino}éthyl)propanamide [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: 1.645
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.73
ACD/KOC (pH 5.5): 883.64
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.80
ACD/KOC (pH 7.4): 884.30
Polar Surface Area: 119 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 348.9±7.0 cm3

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