ChemSpider 2D Image | N-[3-(3-Chloro-6-oxo-6,7,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-8(5H)-yl)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide | C28H33ClN4O7S

N-[3-(3-Chloro-6-oxo-6,7,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-8(5H)-yl)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

  • Molecular FormulaC28H33ClN4O7S
  • Average mass605.102 Da
  • Monoisotopic mass604.175842 Da
  • ChemSpider ID80808736

More details:

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

4-Isoxazolesulfonamide, N-[3-(3-chloro-6,7,9,10,11,12,13,14-octahydro-6-oxodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-8(5H)-yl)-3-oxopropyl]-3,5-dimethyl- [ACD/Index Name]
N-[3-(3-Chlor-6-oxo-6,7,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-8(5H)-yl)-3-oxopropyl]-3,5-dimethyl-1,2-oxazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-[3-(3-Chloro-6-oxo-6,7,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadecin-8(5H)-yl)-3-oxopropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide [ACD/IUPAC Name]
N-[3-(3-Chloro-6-oxo-6,7,9,10,11,12,13,14-octahydrodibenzo[b,e][1,4,7,10]dioxadiazacyclohexadécin-8(5H)-yl)-3-oxopropyl]-3,5-diméthyl-1,2-oxazole-4-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.70
ACD/KOC (pH 5.5): 2037.85
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 291.64
ACD/KOC (pH 7.4): 2016.65
Polar Surface Area: 148 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 472.4±3.0 cm3

Click to predict properties on the Chemicalize site


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