ChemSpider 2D Image | Ethyl 4-ethyl-2-oxo-6-({4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C25H34N6O4S

Ethyl 4-ethyl-2-oxo-6-({4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC25H34N6O4S
  • Average mass514.640 Da
  • Monoisotopic mass514.236206 Da
  • ChemSpider ID4035590

More details:

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

4-Éthyl-2-oxo-6-({4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothiéno[2,3-d]pyrimidin-2-yl)méthyl]-1-pipérazinyl}méthyl)-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-ethyl-6-[[4-[(3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-ethyl-2-oxo-6-({4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl}methyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-ethyl-2-oxo-6-({4-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazinyl}methyl)-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [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: 1.726
Molar Refractivity: 136.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.84
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 15.50
ACD/KOC (pH 7.4): 181.63
Polar Surface Area: 144 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 343.5±7.0 cm3

Click to predict properties on the Chemicalize site


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