ChemSpider 2D Image | N-Dodecyl-2-[13-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-7,14-dioxo-8,13-diazatricyclo[13.3.1.1~2,6~]icosa-1(19),2(20),3,5,15,17-hexaen-8-yl]-2-(4-nitrophenyl)acetamide | C44H59N5O6

N-Dodecyl-2-[13-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-7,14-dioxo-8,13-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-8-yl]-2-(4-nitrophenyl)acetamide

  • Molecular FormulaC44H59N5O6
  • Average mass753.969 Da
  • Monoisotopic mass753.446533 Da
  • ChemSpider ID129203157

More details:

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

8,13-Diazatricyclo[13.3.1.12,6]eicosa-1(19),2,4,6(20),15,17-hexaene-8,13-diacetamide, N13-(1,1-dimethylethyl)-N8-dodecyl-α8-(4-nitrophenyl)-7,14-dioxo- [ACD/Index Name]
N-Dodecyl-2-[13-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-7,14-dioxo-8,13-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-8-yl]-2-(4-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
N-Dodecyl-2-[13-{2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-7,14-dioxo-8,13-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaen-8-yl]-2-(4-nitrophenyl)acetamide [ACD/IUPAC Name]
N-Dodécyl-2-[13-{2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-7,14-dioxo-8,13-diazatricyclo[13.3.1.12,6]icosa-1(19),2(20),3,5,15,17-hexaén-8-yl]-2-(4-nitrophényl)acétamide [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: 944.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.6±3.0 kJ/mol
Flash Point: 525.1±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 215.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 8.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1340333.88
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1340335.38
Polar Surface Area: 145 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 668.6±3.0 cm3

Click to predict properties on the Chemicalize site


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