ChemSpider 2D Image | 4-(4-Methylphenyl)-2-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridine | C30H32N2O2S2

4-(4-Methylphenyl)-2-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridine

  • Molecular FormulaC30H32N2O2S2
  • Average mass516.717 Da
  • Monoisotopic mass516.190491 Da
  • ChemSpider ID1835950

More details:

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

[1]Benzothieno[2,3-b]pyridine, 5,6,7,8-tetrahydro-4-(4-methylphenyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]- [ACD/Index Name]
4-(4-Methylphenyl)-2-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin [German] [ACD/IUPAC Name]
4-(4-Methylphenyl)-2-{4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridine [ACD/IUPAC Name]
4-(4-Méthylphényl)-2-{4-[(4-méthyl-1-pipéridinyl)sulfonyl]phényl}-5,6,7,8-tétrahydro[1]benzothiéno[2,3-b]pyridine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.6±35.7 °C
Index of Refraction: 1.638
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 8.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 675915.13
ACD/LogD (pH 7.4): 8.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 748808.19
Polar Surface Area: 87 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

Click to predict properties on the Chemicalize site


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