ChemSpider 2D Image | 3,6-Bis(4-chlorophenyl)-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide | C32H28Cl2N6O2

3,6-Bis(4-chlorophenyl)-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide

  • Molecular FormulaC32H28Cl2N6O2
  • Average mass599.510 Da
  • Monoisotopic mass598.165100 Da
  • ChemSpider ID30657524

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2,4,5-Tetrazine-1,4-dicarboxamide, 3,6-bis(4-chlorophenyl)-N1,N4-bis[(1S)-1-phenylethyl]- [ACD/Index Name]
3,6-Bis(4-chlorophenyl)-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazine-1,4-dicarboxamide [ACD/IUPAC Name]
3,6-Bis(4-chlorophényl)-N,N'-bis[(1S)-1-phényléthyl]-1,2,4,5-tétrazine-1,4-dicarboxamide [French] [ACD/IUPAC Name]
3,6-Bis(4-chlorphenyl)-N,N'-bis[(1S)-1-phenylethyl]-1,2,4,5-tetrazin-1,4-dicarboxamid [German] [ACD/IUPAC 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: 1.658
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14253.10
ACD/KOC (pH 5.5): 32730.75
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14252.30
ACD/KOC (pH 7.4): 32728.92
Polar Surface Area: 89 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 456.1±7.0 cm3

Click to predict properties on the Chemicalize site


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