ChemSpider 2D Image | 1-Acetyl-9-isobutyl-N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide | C30H47N5O2

1-Acetyl-9-isobutyl-N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID77200037

More details:

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

1,9-Benzodiazacyclododecine-12-carboxamide, 1-acetyl-1,2,3,4,5,6,7,8,9,10-decahydro-N-[3-[2-(1-methylethyl)-1H-imidazol-1-yl]propyl]-9-(2-methylpropyl)- [ACD/Index Name]
1-Acetyl-9-isobutyl-N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-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-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-1,2,3,4,5,6,7,8,9,10-decahydro-1,9-benzodiazacyclododecine-12-carboxamide [ACD/IUPAC Name]
1-Acétyl-9-isobutyl-N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-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: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 24.35
ACD/KOC (pH 7.4): 123.39
Polar Surface Area: 70 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 461.4±7.0 cm3

Click to predict properties on the Chemicalize site


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