ChemSpider 2D Image | 4-[4-(Benzyloxy)phenyl]-8-(2-methyl-2-propanyl)-1-thia-4-azaspiro[4.5]decan-3-one | C25H31NO2S

4-[4-(Benzyloxy)phenyl]-8-(2-methyl-2-propanyl)-1-thia-4-azaspiro[4.5]decan-3-one

  • Molecular FormulaC25H31NO2S
  • Average mass409.584 Da
  • Monoisotopic mass409.207550 Da
  • ChemSpider ID24756008

More details:

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

1-Thia-4-azaspiro[4.5]decan-3-one, 8-(1,1-dimethylethyl)-4-[4-(phenylmethoxy)phenyl]- [ACD/Index Name]
4-[4-(Benzyloxy)phenyl]-8-(2-methyl-2-propanyl)-1-thia-4-azaspiro[4.5]decan-3-on [German] [ACD/IUPAC Name]
4-[4-(Benzyloxy)phenyl]-8-(2-methyl-2-propanyl)-1-thia-4-azaspiro[4.5]decan-3-one [ACD/IUPAC Name]
4-[4-(Benzyloxy)phényl]-8-(2-méthyl-2-propanyl)-1-thia-4-azaspiro[4.5]décan-3-one [French] [ACD/IUPAC Name]
4-[4-(BENZYLOXY)PHENYL]-8-TERT-BUTYL-1-THIA-4-AZASPIRO[4.5]DECAN-3-ONE
8-(tert-butyl)-1-[4-(phenylmethoxy)phenyl]-4-thia-1-azaspiro[4.5]decan-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.4±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 121.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19095.00
ACD/KOC (pH 5.5): 40351.91
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19095.73
ACD/KOC (pH 7.4): 40353.46
Polar Surface Area: 55 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

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