ChemSpider 2D Image | N-Benzyl-2-[1'-(3,3-dimethylbutanoyl)-3,6,10-trioxo-1,3,4,6,7,9,10,11-octahydrospiro[2,5,9-benzotriazacyclotridecine-8,4'-piperidin]-5(2H)-yl]acetamide | C33H43N5O5

N-Benzyl-2-[1'-(3,3-dimethylbutanoyl)-3,6,10-trioxo-1,3,4,6,7,9,10,11-octahydrospiro[2,5,9-benzotriazacyclotridecine-8,4'-piperidin]-5(2H)-yl]acetamide

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID90614812

More details:

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

N-Benzyl-2-[1'-(3,3-dimethylbutanoyl)-3,6,10-trioxo-1,3,4,6,7,9,10,11-octahydrospiro[2,5,9-benzotriazacyclotridecine-8,4'-piperidin]-5(2H)-yl]acetamid [German] [ACD/IUPAC Name]
N-Benzyl-2-[1'-(3,3-dimethylbutanoyl)-3,6,10-trioxo-1,3,4,6,7,9,10,11-octahydrospiro[2,5,9-benzotriazacyclotridecine-8,4'-piperidin]-5(2H)-yl]acetamide [ACD/IUPAC Name]
N-Benzyl-2-[1'-(3,3-diméthylbutanoyl)-3,6,10-trioxo-1,3,4,6,7,9,10,11-octahydrospiro[2,5,9-benzotriazacyclotridecine-8,4'-piperidin]-5(2H)-yl]acétamide [French] [ACD/IUPAC Name]
Spiro[8H-2,5,9-benzotriazacyclotridecine-8,4'-piperidine]-5(2H)-acetamide, 1'-(3,3-dimethyl-1-oxobutyl)-1,3,4,6,7,9,10,11-octahydro-3,6,10-trioxo-N-(phenylmethyl)- [ACD/Index 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: 953.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 530.1±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.01
ACD/KOC (pH 5.5): 253.39
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.01
ACD/KOC (pH 7.4): 253.39
Polar Surface Area: 128 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 472.7±5.0 cm3

Click to predict properties on the Chemicalize site


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