ChemSpider 2D Image | 4-{[(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanoate | C16H18N3O4S

4-{[(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanoate

  • Molecular FormulaC16H18N3O4S
  • Average mass348.397 Da
  • Monoisotopic mass348.102356 Da
  • ChemSpider ID21202960

  • Charge - Charge

More details:

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

4-{[(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanoat [German] [ACD/IUPAC Name]
4-{[(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino}butanoate [ACD/IUPAC Name]
4-{[2-(4-Oxo-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl)acétyl]amino}butanoate [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(5,6,7,8-tetrahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetyl]amino]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.60
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

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