ChemSpider 2D Image | 1-Acetyl-9-isobutyl-N-{[2-methoxy-5-(2-methyl-2-propanyl)phenyl]sulfonyl}-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C32H47N3O5S

1-Acetyl-9-isobutyl-N-{[2-methoxy-5-(2-methyl-2-propanyl)phenyl]sulfonyl}-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID113557664

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, 1-acetyl-N-[[5-(1,1-dimethylethyl)-2-methoxyphenyl]sulfonyl]-1,2,3,4,5,6,7,8,9,10-decahydro-9-(2-methylpropyl)- [ACD/Index Name]
1-Acetyl-9-isobutyl-N-{[2-methoxy-5-(2-methyl-2-propanyl)phenyl]sulfonyl}-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecin-12-carboxamid [German] [ACD/IUPAC Name]
1-Acetyl-9-isobutyl-N-{[2-methoxy-5-(2-methyl-2-propanyl)phenyl]sulfonyl}-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
1-Acétyl-9-isobutyl-N-{[2-méthoxy-5-(2-méthyl-2-propanyl)phényl]sulfonyl}-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: 1.535
Molar Refractivity: 164.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 42.91
ACD/KOC (pH 5.5): 98.92
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 49.68
ACD/KOC (pH 7.4): 114.52
Polar Surface Area: 104 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 527.7±3.0 cm3

Click to predict properties on the Chemicalize site


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