Found 49 results

Search term: MF = 'C_{26}H_{30}BrNO_{3}S'
ChemSpider 2D Image | 2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(hexyloxy)-1-(4-methoxybenzyl)-4(1H)-pyridinone | C26H30BrNO3S

2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(hexyloxy)-1-(4-methoxybenzyl)-4(1H)-pyridinone

  • Molecular FormulaC26H30BrNO3S
  • Average mass516.490 Da
  • Monoisotopic mass515.112976 Da
  • ChemSpider ID123382613

More details:

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

2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(hexyloxy)-1-(4-methoxybenzyl)-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[(4-Bromophényl)sulfanyl]méthyl}-5-(hexyloxy)-1-(4-méthoxybenzyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
2-{[(4-Bromphenyl)sulfanyl]methyl}-5-(hexyloxy)-1-(4-methoxybenzyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(4-bromophenyl)thio]methyl]-5-(hexyloxy)-1-[(4-methoxyphenyl)methyl]- [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: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 90304.52
ACD/KOC (pH 5.5): 122706.13
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 90311.85
ACD/KOC (pH 7.4): 122716.09
Polar Surface Area: 64 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 387.3±5.0 cm3

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