ChemSpider 2D Image | N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-[2-(1-pyrrolidinyl)ethyl]benzamide | C35H47N3O4S

N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-[2-(1-pyrrolidinyl)ethyl]benzamide

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID3543041

More details:

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

Benzamide, N-[2-[[2-(3,4-dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino]-2-oxoethyl]-4-(1,1-dimethylethyl)-N-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-[2-(1-pyrrolidinyl)ethyl]benzamid [German] [ACD/IUPAC Name]
N-(2-{[2-(3,4-Dimethoxyphenyl)ethyl][(3-methyl-2-thienyl)methyl]amino}-2-oxoethyl)-4-(2-methyl-2-propanyl)-N-[2-(1-pyrrolidinyl)ethyl]benzamide [ACD/IUPAC Name]
N-(2-{[2-(3,4-Diméthoxyphényl)éthyl][(3-méthyl-2-thiényl)méthyl]amino}-2-oxoéthyl)-4-(2-méthyl-2-propanyl)-N-[2-(1-pyrrolidinyl)éthyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 21.46
ACD/KOC (pH 5.5): 46.17
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 569.54
ACD/KOC (pH 7.4): 1225.10
Polar Surface Area: 91 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 529.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement