ChemSpider 2D Image | 4-[(3,5,5,8,8-Pentamethyl-4-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)methyl]benzoic acid | C30H35NO4S

4-[(3,5,5,8,8-Pentamethyl-4-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)methyl]benzoic acid

  • Molecular FormulaC30H35NO4S
  • Average mass505.668 Da
  • Monoisotopic mass505.228668 Da
  • ChemSpider ID9845370

More details:

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

4-[(3,5,5,8,8-Pentamethyl-4-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)methyl]benzoic acid [ACD/IUPAC Name]
4-[(3,5,5,8,8-Pentamethyl-4-{[(4-methylphenyl)sulfonyl]amino}-5,6,7,8-tetrahydro-2-naphthalinyl)methyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[(3,5,5,8,8-pentaméthyl-4-{[(4-méthylphényl)sulfonyl]amino}-5,6,7,8-tétrahydro-2-naphtalényl)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-4-[[(4-methylphenyl)sulfonyl]amino]-2-naphthalenyl]methyl]- [ACD/Index 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: 631.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.0±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.92
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 27469.60
ACD/KOC (pH 5.5): 23115.33
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 691.78
ACD/KOC (pH 7.4): 582.13
Polar Surface Area: 92 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 426.7±3.0 cm3

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