ChemSpider 2D Image | N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanamide | C25H38N6O3S

N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanamide

  • Molecular FormulaC25H38N6O3S
  • Average mass502.673 Da
  • Monoisotopic mass502.272614 Da
  • ChemSpider ID20222825

More details:

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

[1]Benzothieno[2,3-d]pyrimidine-3(4H)-acetamide, N-[4-[[3-(4-ethyl-1-piperazinyl)propyl]amino]-4-oxobutyl]-5,6,7,8-tetrahydro-4-oxo- [ACD/Index Name]
N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanamid [German] [ACD/IUPAC Name]
N-[3-(4-Ethyl-1-piperazinyl)propyl]-4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanamide [ACD/IUPAC Name]
N-[3-(4-Éthyl-1-pipérazinyl)propyl]-4-{[2-(4-oxo-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl)acétyl]amino}butanamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.90
Polar Surface Area: 126 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 372.5±7.0 cm3

Click to predict properties on the Chemicalize site


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