ChemSpider 2D Image | 4,6-Dichloro-N-(2,4-dimethylphenyl)-9-methyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxamide | C27H25Cl2N3O2S

4,6-Dichloro-N-(2,4-dimethylphenyl)-9-methyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID3458646

More details:

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

2,6-Methano-2H-1,3,5-benzoxadiazocine-11-carboxamide, 8,10-dichloro-N-(2,4-dimethylphenyl)-3,4,5,6-tetrahydro-2-methyl-3-(4-methylphenyl)-4-thioxo- [ACD/Index Name]
4,6-Dichlor-N-(2,4-dimethylphenyl)-9-methyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-13-carboxamid [German] [ACD/IUPAC Name]
4,6-Dichloro-N-(2,4-dimethylphenyl)-9-methyl-10-(4-methylphenyl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide [ACD/IUPAC Name]
4,6-Dichloro-N-(2,4-diméthylphényl)-9-méthyl-10-(4-méthylphényl)-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-triène-13-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 6.83
ACD/BCF (pH 5.5): 91980.15
ACD/KOC (pH 5.5): 124329.98
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 91982.67
ACD/KOC (pH 7.4): 124333.40
Polar Surface Area: 86 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 369.3±5.0 cm3

Click to predict properties on the Chemicalize site


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