ChemSpider 2D Image | N-Cyclopentyl-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide | C27H26FN3O3S2

N-Cyclopentyl-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide

  • Molecular FormulaC27H26FN3O3S2
  • Average mass523.642 Da
  • Monoisotopic mass523.139954 Da
  • ChemSpider ID20270805

More details:

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

[1]Benzothieno[3,2-d]pyrimidine-3(4H)-butanamide, N-cyclopentyl-2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-oxo- [ACD/Index Name]
N-Cyclopentyl-4-[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide [ACD/IUPAC Name]
N-Cyclopentyl-4-[2-{[2-(4-fluorophényl)-2-oxoéthyl]sulfanyl}-4-oxo[1]benzothiéno[3,2-d]pyrimidin-3(4H)-yl]butanamide [French] [ACD/IUPAC Name]
N-Cyclopentyl-4-[2-{[2-(4-fluorphenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamid [German] [ACD/IUPAC Name]

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: 1.701
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2075.30
ACD/KOC (pH 5.5): 8240.68
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2075.30
ACD/KOC (pH 7.4): 8240.68
Polar Surface Area: 132 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 368.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement