ChemSpider 2D Image | N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-1-isobutyryl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C29H42N4O4S

N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-1-isobutyryl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC29H42N4O4S
  • Average mass542.733 Da
  • Monoisotopic mass542.292664 Da
  • ChemSpider ID80810584

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, N-[2-[4-[(dimethylamino)sulfonyl]phenyl]ethyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1-(2-methyl-1-oxopropyl)- [ACD/Index Name]
N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-1-isobutyryl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [ACD/IUPAC Name]
N-{2-[4-(Dimethylsulfamoyl)phenyl]ethyl}-1-isobutyryl-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
N-{2-[4-(Diméthylsulfamoyl)phényl]éthyl}-1-isobutyryl-1,2,3,4,5,6,7,8,9,10-décahydro-1,9-benzodiazacyclododécine-12-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.67
ACD/KOC (pH 7.4): 21.08
Polar Surface Area: 107 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 477.5±3.0 cm3

Click to predict properties on the Chemicalize site


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