ChemSpider 2D Image | 1-[(4-tert-Butylbenzyl)(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-(2-methoxyphenoxy)propan-2-ol | C25H35NO5S

1-[(4-tert-Butylbenzyl)(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-(2-methoxyphenoxy)propan-2-ol

  • Molecular FormulaC25H35NO5S
  • Average mass461.614 Da
  • Monoisotopic mass461.223602 Da
  • ChemSpider ID23458095

More details:

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

1-[(4-tert-Butylbenzyl)(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-(2-methoxyphenoxy)propan-2-ol
1-{(1,1-Dioxidotetrahydro-3-thiophenyl)[4-(2-methyl-2-propanyl)benzyl]amino}-3-(2-methoxyphenoxy)-2-propanol [ACD/IUPAC Name]
1-{(1,1-Dioxidotetrahydro-3-thiophenyl)[4-(2-methyl-2-propanyl)benzyl]amino}-3-(2-methoxyphenoxy)-2-propanol [German] [ACD/IUPAC Name]
1-{(1,1-Dioxydotétrahydro-3-thiophényl)[4-(2-méthyl-2-propanyl)benzyl]amino}-3-(2-méthoxyphénoxy)-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[[[4-(1,1-dimethylethyl)phenyl]methyl](tetrahydro-1,1-dioxido-3-thienyl)amino]-3-(2-methoxyphenoxy)- [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: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 268.89
ACD/KOC (pH 5.5): 1653.74
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.54
ACD/KOC (pH 7.4): 2715.55
Polar Surface Area: 84 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 378.9±5.0 cm3

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