ChemSpider 2D Image | 2-Methyl-2-propanyl (10'Z)-1-benzyl-13'-methyl-2',7'-dioxo-1''H-dispiro[piperidine-4,5'-[14]thia[3,6,13]triazabicyclo[13.3.1]nonadeca[1(19),10,15,17]tetraene-8',2''-pyrrolidine]-1''-carboxylate 14',14 '-dioxide | C35H47N5O6S

2-Methyl-2-propanyl (10'Z)-1-benzyl-13'-methyl-2',7'-dioxo-1''H-dispiro[piperidine-4,5'-[14]thia[3,6,13]triazabicyclo[13.3.1]nonadeca[1(19),10,15,17]tetraene-8',2''-pyrrolidine]-1''-carboxylate 14',14 '-dioxide

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID104765900

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl (10'Z)-1-benzyl-13'-methyl-2',7'-dioxo-1''H-dispiro[piperidine-4,5'-[14]thia[3,6,13]triazabicyclo[13.3.1]nonadeca[1(19),10,15,17]tetraene-8',2''-pyrrolidine]-1''-carboxylate 14',14 '-dioxide [ACD/IUPAC Name]
Dispiro[piperidine-4,11'-[2]thia[3,10,13]triazabicyclo[13.3.1]nonadeca[1(19),5,15,17]tetraene-8',2''-pyrrolidine]-1''-carboxylic acid, 3'-methyl-9',14'-dioxo-1-(phenylmethyl)-, 1,1-dimethylethyl ester , 2',2'-dioxide, (5'Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 181.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 23.04
ACD/KOC (pH 7.4): 160.84
Polar Surface Area: 137 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 509.7±5.0 cm3

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