ChemSpider 2D Image | 2-Methyl-2-propanyl (12E)-15-methyl-5-(3-methyl-2-butanyl)-2,7-dioxo-1'H-spiro[10-oxa-16-thia-3,6,15-triazabicyclo[15.3.1]henicosa-1(21),12,17,19-tetraene-8,4'-piperidine]-1'-carboxylate 16,16-dioxide | C31H48N4O7S

2-Methyl-2-propanyl (12E)-15-methyl-5-(3-methyl-2-butanyl)-2,7-dioxo-1'H-spiro[10-oxa-16-thia-3,6,15-triazabicyclo[15.3.1]henicosa-1(21),12,17,19-tetraene-8,4'-piperidine]-1'-carboxylate 16,16-dioxide

  • Molecular FormulaC31H48N4O7S
  • Average mass620.800 Da
  • Monoisotopic mass620.324341 Da
  • ChemSpider ID104767201

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl (12E)-15-methyl-5-(3-methyl-2-butanyl)-2,7-dioxo-1'H-spiro[10-oxa-16-thia-3,6,15-triazabicyclo[15.3.1]henicosa-1(21),12,17,19-tetraene-8,4'-piperidine]-1'-carboxylate 16,16-dioxide [ACD/IUPAC Name]
Spiro[8-oxa-2-thia-3,12,15-triazabicyclo[15.3.1]heneicosa-1(21),5,17,19-tetraene-10,4'-piperidine]-1'-carboxylic acid, 13-(1,2-dimethylpropyl)-3-methyl-11,16-dioxo-, 1,1-dimethylethyl ester, 2,2-dioxi de, (5E)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 166.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.50
ACD/KOC (pH 5.5): 1451.84
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.50
ACD/KOC (pH 7.4): 1451.84
Polar Surface Area: 143 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 503.7±5.0 cm3

Click to predict properties on the Chemicalize site


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