ChemSpider 2D Image | 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-isobutyl-8-[(4-methoxyphenyl)sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one | C28H39N3O6S

1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-isobutyl-8-[(4-methoxyphenyl)sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID22636394

More details:

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

1,4,8-Triazaspiro[4.5]decan-2-one, 1-[2-(3,4-dimethoxyphenyl)ethyl]-8-[(4-methoxyphenyl)sulfonyl]-3-(2-methylpropyl)- [ACD/Index Name]
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-isobutyl-8-[(4-methoxyphenyl)sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-isobutyl-8-[(4-methoxyphenyl)sulfonyl]-1,4,8-triazaspiro[4.5]decan-2-one [ACD/IUPAC Name]
1-[2-(3,4-Diméthoxyphényl)éthyl]-3-isobutyl-8-[(4-méthoxyphényl)sulfonyl]-1,4,8-triazaspiro[4.5]décan-2-one [French] [ACD/IUPAC 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: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.2±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1340.03
ACD/KOC (pH 5.5): 5977.53
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1377.68
ACD/KOC (pH 7.4): 6145.48
Polar Surface Area: 106 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

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