ChemSpider 2D Image | 4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine | C22H25N5OS

4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine

  • Molecular FormulaC22H25N5OS
  • Average mass407.532 Da
  • Monoisotopic mass407.177979 Da
  • ChemSpider ID24663070

More details:






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

2-{4-[6-(1-Benzothiophen-2-yl)-4-pyrimidinyl]-1-piperazinyl}-1-(1-pyrrolidinyl)ethanon [German] [ACD/IUPAC Name]
2-{4-[6-(1-Benzothiophen-2-yl)-4-pyrimidinyl]-1-piperazinyl}-1-(1-pyrrolidinyl)ethanone [ACD/IUPAC Name]
2-{4-[6-(1-Benzothiophén-2-yl)-4-pyrimidinyl]-1-pipérazinyl}-1-(1-pyrrolidinyl)éthanone [French] [ACD/IUPAC Name]
4-(1-benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
Ethanone, 2-[4-(6-benzo[b]thien-2-yl-4-pyrimidinyl)-1-piperazinyl]-1-(1-pyrrolidinyl)- [ACD/Index Name]
B87

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 59.71
ACD/KOC (pH 5.5): 425.33
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 255.15
ACD/KOC (pH 7.4): 1817.52
Polar Surface Area: 81 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 315.1±3.0 cm3

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