ChemSpider 2D Image | 3-[3-(Benzyloxy)-4-methoxyphenyl]-1-[3-(isobutylsulfonyl)-1-azetidinyl]-1-propanone | C24H31NO5S

3-[3-(Benzyloxy)-4-methoxyphenyl]-1-[3-(isobutylsulfonyl)-1-azetidinyl]-1-propanone

  • Molecular FormulaC24H31NO5S
  • Average mass445.572 Da
  • Monoisotopic mass445.192291 Da
  • ChemSpider ID30764123

More details:

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

1-Propanone, 3-[4-methoxy-3-(phenylmethoxy)phenyl]-1-[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]- [ACD/Index Name]
3-[3-(Benzyloxy)-4-methoxyphenyl]-1-[3-(isobutylsulfonyl)-1-azetidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[3-(Benzyloxy)-4-methoxyphenyl]-1-[3-(isobutylsulfonyl)-1-azetidinyl]-1-propanone [ACD/IUPAC Name]
3-[3-(Benzyloxy)-4-méthoxyphényl]-1-[3-(isobutylsulfonyl)-1-azétidinyl]-1-propanone [French] [ACD/IUPAC Name]
1797276-78-8 [RN]
3-(3-(benzyloxy)-4-methoxyphenyl)-1-(3-(isobutylsulfonyl)azetidin-1-yl)propan-1-one
3-[3-(benzyloxy)-4-methoxyphenyl]-1-[3-(2-methylpropanesulfonyl)azetidin-1-yl]propan-1-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: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 203.93
ACD/KOC (pH 5.5): 1565.80
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 203.93
ACD/KOC (pH 7.4): 1565.80
Polar Surface Area: 81 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

Click to predict properties on the Chemicalize site


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