ChemSpider 2D Image | N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-2-(10,10-dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)acetamide | C31H40N4O5S

N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-2-(10,10-dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)acetamide

  • Molecular FormulaC31H40N4O5S
  • Average mass580.738 Da
  • Monoisotopic mass580.271912 Da
  • ChemSpider ID77203061

More details:

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

5H-Pyrido[2,3-b][1,11,5]benzodioxaazacyclotridecine-6(7H)-acetamide, N-[2-[4-[(dimethylamino)sulfonyl]phenyl]ethyl]-8,9,10,11-tetrahydro-10,10-dimethyl- [ACD/Index Name]
N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-2-(10,10-dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)acetamid [German] [ACD/IUPAC Name]
N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-2-(10,10-dimethyl-8,9,10,11-tetrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridecin-6(7H)-yl)acetamide [ACD/IUPAC Name]
N-{2-[4-(Diméthylsulfamoyl)phényl]éthyl}-2-(10,10-diméthyl-8,9,10,11-tétrahydro-5H-pyrido[2,3-b][1,11,5]benzodioxazacyclotridécin-6(7H)-yl)acétamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 160.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 565.28
ACD/KOC (pH 5.5): 3042.23
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 709.68
ACD/KOC (pH 7.4): 3819.34
Polar Surface Area: 109 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 497.8±3.0 cm3

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