ChemSpider 2D Image | N-[4-(4-Morpholinyl)benzyl]-4-oxo-1-(phenylsulfonyl)-1,5-diazacycloundecane-8-carboxamide | C27H36N4O5S

N-[4-(4-Morpholinyl)benzyl]-4-oxo-1-(phenylsulfonyl)-1,5-diazacycloundecane-8-carboxamide

  • Molecular FormulaC27H36N4O5S
  • Average mass528.664 Da
  • Monoisotopic mass528.240662 Da
  • ChemSpider ID53585502

More details:

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

1,5-Diazacycloundecane-8-carboxamide, N-[[4-(4-morpholinyl)phenyl]methyl]-4-oxo-1-(phenylsulfonyl)- [ACD/Index Name]
N-[4-(4-Morpholinyl)benzyl]-4-oxo-1-(phenylsulfonyl)-1,5-diazacycloundecan-8-carboxamid [German] [ACD/IUPAC Name]
N-[4-(4-Morpholinyl)benzyl]-4-oxo-1-(phenylsulfonyl)-1,5-diazacycloundecane-8-carboxamide [ACD/IUPAC Name]
N-[4-(4-Morpholinyl)benzyl]-4-oxo-1-(phénylsulfonyl)-1,5-diazacycloundécane-8-carboxamide [French] [ACD/IUPAC Name]
N-(4-morpholinobenzyl)-4-oxo-1-(phenylsulfonyl)-1,5-diazacycloundecane-8-carboxamide

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: 1.578
Molar Refractivity: 142.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.22
ACD/KOC (pH 5.5): 197.76
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.73
ACD/KOC (pH 7.4): 238.55
Polar Surface Area: 116 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 430.1±3.0 cm3

Click to predict properties on the Chemicalize site


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