ChemSpider 2D Image | 3-[3-(Benzyloxy)phenyl]-1-[3-(cyclohexylsulfonyl)-1-azetidinyl]-1-propanone | C25H31NO4S

3-[3-(Benzyloxy)phenyl]-1-[3-(cyclohexylsulfonyl)-1-azetidinyl]-1-propanone

  • Molecular FormulaC25H31NO4S
  • Average mass441.583 Da
  • Monoisotopic mass441.197388 Da
  • ChemSpider ID30763990

More details:

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

1-Propanone, 1-[3-(cyclohexylsulfonyl)-1-azetidinyl]-3-[3-(phenylmethoxy)phenyl]- [ACD/Index Name]
3-[3-(Benzyloxy)phenyl]-1-[3-(cyclohexylsulfonyl)-1-azetidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-[3-(Benzyloxy)phenyl]-1-[3-(cyclohexylsulfonyl)-1-azetidinyl]-1-propanone [ACD/IUPAC Name]
3-[3-(Benzyloxy)phényl]-1-[3-(cyclohexylsulfonyl)-1-azétidinyl]-1-propanone [French] [ACD/IUPAC Name]
1797844-83-7 [RN]
3-(3-(benzyloxy)phenyl)-1-(3-(cyclohexylsulfonyl)azetidin-1-yl)propan-1-one
3-[3-(BENZYLOXY)PHENYL]-1-[3-(CYCLOHEXANESULFONYL)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: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.3±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 623.82
ACD/KOC (pH 5.5): 3485.81
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 623.82
ACD/KOC (pH 7.4): 3485.81
Polar Surface Area: 72 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 353.7±5.0 cm3

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