ChemSpider 2D Image | N-sec-Butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide | C29H34N2O6S

N-sec-Butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID3634290

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[2-[[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino]-2-oxoethyl]-N-(1-methylpropyl)- [ACD/Index Name]
N-sec-Butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl](2-thienylmethyl)amino}-2-oxoethyl)-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{[2-(3,4-diméthoxyphényl)éthyl](2-thiénylméthyl)amino}-2-oxoéthyl)-1,3-benzodioxole-5-carboxamide [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: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.98
ACD/KOC (pH 5.5): 1999.57
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.98
ACD/KOC (pH 7.4): 1999.57
Polar Surface Area: 106 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 435.1±3.0 cm3

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