ChemSpider 2D Image | 2-({[(4-{[4-(2-Pyrimidinyl)-1-piperazinyl]carbonyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C22H24N8O5S

2-({[(4-{[4-(2-Pyrimidinyl)-1-piperazinyl]carbonyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC22H24N8O5S
  • Average mass512.542 Da
  • Monoisotopic mass512.159058 Da
  • ChemSpider ID125072650

More details:

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

2-({[(4-{[4-(2-Pyrimidinyl)-1-piperazinyl]carbonyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-({[(4-{[4-(2-Pyrimidinyl)-1-piperazinyl]carbonyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-({2-[(4-{[4-(2-Pyrimidinyl)-1-pipérazinyl]carbonyl}-1,2,5-oxadiazol-3-yl)oxy]acétyl}amino)-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-carboxamide, 4,5,6,7-tetrahydro-2-[[2-[[4-[[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]- [ACD/Index 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: 1.678
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 118.11
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.39
ACD/KOC (pH 7.4): 145.42
Polar Surface Area: 198 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 83.9±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


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