Found 49 results

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

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

  • Molecular FormulaC26H30BrNO3S
  • Average mass516.490 Da
  • Monoisotopic mass515.112976 Da
  • ChemSpider ID123414876

More details:

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

2-{[(4-Bromophenyl)sulfanyl]methyl}-5-(heptyloxy)-1-(4-hydroxybenzyl)-4(1H)-pyridinone [ACD/IUPAC Name]
2-{[(4-Bromophényl)sulfanyl]méthyl}-5-(heptyloxy)-1-(4-hydroxybenzyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
2-{[(4-Bromphenyl)sulfanyl]methyl}-5-(heptyloxy)-1-(4-hydroxybenzyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-[[(4-bromophenyl)thio]methyl]-5-(heptyloxy)-1-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 221633.02
ACD/KOC (pH 5.5): 233326.09
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 220456.17
ACD/KOC (pH 7.4): 232087.17
Polar Surface Area: 75 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

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