ChemSpider 2D Image | 1-Acetyl-N-[(3-chlorophenyl)sulfonyl]-9-(3-methylbutyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C28H38ClN3O4S

1-Acetyl-N-[(3-chlorophenyl)sulfonyl]-9-(3-methylbutyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC28H38ClN3O4S
  • Average mass548.137 Da
  • Monoisotopic mass547.227173 Da
  • ChemSpider ID77202399

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, 1-acetyl-N-[(3-chlorophenyl)sulfonyl]-1,2,3,4,5,6,7,8,9,10-decahydro-9-(3-methylbutyl)- [ACD/Index Name]
1-Acetyl-N-[(3-chlorophenyl)sulfonyl]-9-(3-methylbutyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
1-Acétyl-N-[(3-chlorophényl)sulfonyl]-9-(3-méthylbutyl)-1,2,3,4,5,6,7,8,9,10-décahydro-1,9-benzodiazacyclododécine-12-carboxamide [French] [ACD/IUPAC Name]
1-Acetyl-N-[(3-chlorphenyl)sulfonyl]-9-(3-methylbutyl)-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [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: 1.552
Molar Refractivity: 148.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 20.50
ACD/KOC (pH 5.5): 58.27
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 23.01
ACD/KOC (pH 7.4): 65.41
Polar Surface Area: 95 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 465.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement