ChemSpider 2D Image | N-Benzoyl-1-oxa-4,10-dithia-7-azacyclododecane-7-carboxamide | C16H22N2O3S2

N-Benzoyl-1-oxa-4,10-dithia-7-azacyclododecane-7-carboxamide

  • Molecular FormulaC16H22N2O3S2
  • Average mass354.487 Da
  • Monoisotopic mass354.107178 Da
  • ChemSpider ID21141688

More details:

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

1-Oxa-4,10-dithia-7-azacyclododecane-7-carboxamide, N-benzoyl- [ACD/Index Name]
N-Benzoyl-1-oxa-4,10-dithia-7-azacyclododecan-7-carboxamid [German] [ACD/IUPAC Name]
N-Benzoyl-1-oxa-4,10-dithia-7-azacyclododecane-7-carboxamide [ACD/IUPAC Name]
N-Benzoyl-1-oxa-4,10-dithia-7-azacyclododécane-7-carboxamide [French] [ACD/IUPAC Name]
926928-10-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.7±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 17.12
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 113 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 278.7±7.0 cm3

Click to predict properties on the Chemicalize site


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