ChemSpider 2D Image | 3-[4-(Benzyloxy)phenyl]-1-{3-[(2-methyl-2-propanyl)sulfanyl]-1-pyrrolidinyl}-1-propanone | C24H31NO2S

3-[4-(Benzyloxy)phenyl]-1-{3-[(2-methyl-2-propanyl)sulfanyl]-1-pyrrolidinyl}-1-propanone

  • Molecular FormulaC24H31NO2S
  • Average mass397.573 Da
  • Monoisotopic mass397.207550 Da
  • ChemSpider ID30759307

More details:

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

1-Propanone, 1-[3-[(1,1-dimethylethyl)thio]-1-pyrrolidinyl]-3-[4-(phenylmethoxy)phenyl]- [ACD/Index Name]
3-[4-(Benzyloxy)phenyl]-1-{3-[(2-methyl-2-propanyl)sulfanyl]-1-pyrrolidinyl}-1-propanon [German] [ACD/IUPAC Name]
3-[4-(Benzyloxy)phenyl]-1-{3-[(2-methyl-2-propanyl)sulfanyl]-1-pyrrolidinyl}-1-propanone [ACD/IUPAC Name]
3-[4-(Benzyloxy)phényl]-1-{3-[(2-méthyl-2-propanyl)sulfanyl]-1-pyrrolidinyl}-1-propanone [French] [ACD/IUPAC Name]
1797212-42-0 [RN]
3-(4-(benzyloxy)phenyl)-1-(3-(tert-butylthio)pyrrolidin-1-yl)propan-1-one
3-[4-(BENZYLOXY)PHENYL]-1-[3-(TERT-BUTYLSULFANYL)PYRROLIDIN-1-YL]PROPAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 571.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5606.92
ACD/KOC (pH 5.5): 16785.29
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5606.92
ACD/KOC (pH 7.4): 16785.29
Polar Surface Area: 55 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 351.0±5.0 cm3

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