ChemSpider 2D Image | 2-[4-(4-Methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]ethanone | C27H31N3O3S2

2-[4-(4-Methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]ethanone

  • Molecular FormulaC27H31N3O3S2
  • Average mass509.683 Da
  • Monoisotopic mass509.180695 Da
  • ChemSpider ID22759519

More details:

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

2-[4-(4-Methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-[4-(4-Methylphenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-[4-(4-Méthylphényl)-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl]-1-[3-méthyl-4-(phénylsulfonyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[6,7-dihydro-4-(4-methylphenyl)thieno[3,2-c]pyridin-5(4H)-yl]-1-[3-methyl-4-(phenylsulfonyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 141.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 303.36
ACD/KOC (pH 5.5): 1240.73
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1755.64
ACD/KOC (pH 7.4): 7180.55
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 400.4±3.0 cm3

Click to predict properties on the Chemicalize site


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