ChemSpider 2D Image | N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-butoxy-N-(2-methoxyethyl)benzamide | C29H34N2O6S

N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-butoxy-N-(2-methoxyethyl)benzamide

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID3644099

More details:

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

Benzamide, N-[2-[(1,3-benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(2-methoxyethyl)- [ACD/Index Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-butoxy-N-(2-methoxyethyl)benzamid [German] [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylmethyl)(2-thienylmethyl)amino]-2-oxoethyl}-4-butoxy-N-(2-methoxyethyl)benzamide [ACD/IUPAC Name]
N-{2-[(1,3-Benzodioxol-5-ylméthyl)(2-thiénylméthyl)amino]-2-oxoéthyl}-4-butoxy-N-(2-méthoxyéthyl)benzamide [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: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.9±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 147.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 994.50
ACD/KOC (pH 5.5): 4867.27
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 994.50
ACD/KOC (pH 7.4): 4867.27
Polar Surface Area: 106 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 433.6±3.0 cm3

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