ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-propanyl]-3,5-dimethoxybenzamide | C33H40N2O4S

N-[3-(Benzylsulfanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-propanyl]-3,5-dimethoxybenzamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID122225442

More details:

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

Benzamide, N-[2-[2-[4-(1,1-dimethylethyl)phenyl]-1-pyrrolidinyl]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3,5-dimethoxy- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-propanyl]-3,5-dimethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-propanyl]-3,5-dimethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{2-[4-(2-méthyl-2-propanyl)phényl]-1-pyrrolidinyl}-1-oxo-2-propanyl]-3,5-diméthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 162.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25482.18
ACD/KOC (pH 5.5): 49610.03
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25482.07
ACD/KOC (pH 7.4): 49609.82
Polar Surface Area: 93 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 482.7±3.0 cm3

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