ChemSpider 2D Image | 2-Methyl-2-propanyl (9Z)-2-(3-chlorobenzyl)-1,6-dioxo-1,2,3,4,5,6,8,11-octahydro-1'H-spiro[2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylate | C31H38ClN3O4

2-Methyl-2-propanyl (9Z)-2-(3-chlorobenzyl)-1,6-dioxo-1,2,3,4,5,6,8,11-octahydro-1'H-spiro[2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylate

  • Molecular FormulaC31H38ClN3O4
  • Average mass552.104 Da
  • Monoisotopic mass551.255066 Da
  • ChemSpider ID107398695

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-2-(3-Chlorobenzyl)-1,6-dioxo-1,2,3,4,5,6,8,11-octahydro-1'H-spiro[2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (9Z)-2-(3-chlorobenzyl)-1,6-dioxo-1,2,3,4,5,6,8,11-octahydro-1'H-spiro[2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(9Z)-2-(3-chlorbenzyl)-1,6-dioxo-1,2,3,4,5,6,8,11-octahydro-1'H-spiro[2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylat [German] [ACD/IUPAC Name]
Spiro[7H-2,5-benzodiazacyclotridecine-7,3'-piperidine]-1'-carboxylic acid, 2-[(3-chlorophenyl)methyl]-1,2,3,4,5,6,8,11-octahydro-1,6-dioxo-, 1,1-dimethylethyl ester, (9Z)- [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: 744.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2105.25
ACD/KOC (pH 5.5): 8325.62
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2105.25
ACD/KOC (pH 7.4): 8325.63
Polar Surface Area: 79 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 56.4±5.0 dyne/cm
Molar Volume: 442.3±5.0 cm3

Click to predict properties on the Chemicalize site


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