ChemSpider 2D Image | 21-[(4-Methylphenyl)sulfonyl]-4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione | C23H35N3O8S

21-[(4-Methylphenyl)sulfonyl]-4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione

  • Molecular FormulaC23H35N3O8S
  • Average mass513.604 Da
  • Monoisotopic mass513.214478 Da
  • ChemSpider ID30656727

More details:

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

21-[(4-Methylphenyl)sulfonyl]-4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosan-19,23-dion [German] [ACD/IUPAC Name]
21-[(4-Methylphenyl)sulfonyl]-4,7,13,16-tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione [ACD/IUPAC Name]
21-[(4-Méthylphényl)sulfonyl]-4,7,13,16-tétraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione [French] [ACD/IUPAC Name]
4,7,13,16-Tetraoxa-1,10,21-triazabicyclo[8.8.5]tricosane-19,23-dione, 21-[(4-methylphenyl)sulfonyl]- [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: 741.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.1±35.7 °C
Index of Refraction: 1.584
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.61
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.61
Polar Surface Area: 123 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

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