ChemSpider 2D Image | 1-Ethyl-N-[(7S)-2-methyl-7-(2-methyl-2-propanyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-5-carboxamide | C21H27N5O2S

1-Ethyl-N-[(7S)-2-methyl-7-(2-methyl-2-propanyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-5-carboxamide

  • Molecular FormulaC21H27N5O2S
  • Average mass413.536 Da
  • Monoisotopic mass413.188538 Da
  • ChemSpider ID62413946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Ethyl-N-[(7S)-2-methyl-7-(2-methyl-2-propanyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
1-Ethyl-N-[(7S)-2-methyl-7-(2-methyl-2-propanyl)-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
1-Éthyl-N-[(7S)-2-méthyl-7-(2-méthyl-2-propanyl)-4-oxo-5,6,7,8-tétrahydro[1]benzothiéno[2,3-d]pyrimidin-3(4H)-yl]-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxamide, N-[(7S)-7-(1,1-dimethylethyl)-5,6,7,8-tetrahydro-2-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl]-1-ethyl- [ACD/Index 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: 1.689
Molar Refractivity: 115.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 41.32
ACD/KOC (pH 5.5): 383.33
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 89.05
ACD/KOC (pH 7.4): 826.07
Polar Surface Area: 108 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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