ChemSpider 2D Image | N-Methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-2-[3,4,5-trimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]acetamide | C28H39N3O6S

N-Methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-2-[3,4,5-trimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID8545653

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzeneacetamide, 3,4,5-trimethoxy-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-2-(1-pyrrolidinylsulfonyl)- [ACD/Index Name]
N-Methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-2-[3,4,5-trimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
N-Methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-2-[3,4,5-trimethoxy-2-(1-pyrrolidinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
N-Méthyl-N-[(1S)-1-phényl-2-(1-pyrrolidinyl)éthyl]-2-[3,4,5-triméthoxy-2-(1-pyrrolidinylsulfonyl)phényl]acétamide [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: 708.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.4±35.7 °C
Index of Refraction: 1.579
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.37
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 10.60
ACD/KOC (pH 7.4): 78.99
Polar Surface Area: 97 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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