ChemSpider 2D Image | 5-(1-Azepanylsulfonyl)-N-{2-[(3,4-diethoxyphenyl)amino]-2-oxoethyl}-2-methoxy-N-methylbenzamide | C27H37N3O7S

5-(1-Azepanylsulfonyl)-N-{2-[(3,4-diethoxyphenyl)amino]-2-oxoethyl}-2-methoxy-N-methylbenzamide

  • Molecular FormulaC27H37N3O7S
  • Average mass547.664 Da
  • Monoisotopic mass547.235229 Da
  • ChemSpider ID21941633

More details:

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

5-(1-Azepanylsulfonyl)-N-{2-[(3,4-diethoxyphenyl)amino]-2-oxoethyl}-2-methoxy-N-methylbenzamid [German] [ACD/IUPAC Name]
5-(1-Azepanylsulfonyl)-N-{2-[(3,4-diethoxyphenyl)amino]-2-oxoethyl}-2-methoxy-N-methylbenzamide [ACD/IUPAC Name]
5-(1-Azépanylsulfonyl)-N-{2-[(3,4-diéthoxyphényl)amino]-2-oxoéthyl}-2-méthoxy-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-[(3,4-diethoxyphenyl)amino]-2-oxoethyl]-5-[(hexahydro-1H-azepin-1-yl)sulfonyl]-2-methoxy-N-methyl- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.82
ACD/KOC (pH 5.5): 1758.43
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.82
ACD/KOC (pH 7.4): 1758.41
Polar Surface Area: 123 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

Click to predict properties on the Chemicalize site


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