ChemSpider 2D Image | 3-({4-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]benzoyl}amino)-N-(mesitylsulfonyl)alanine | C24H29N7O5S

3-({4-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]benzoyl}amino)-N-(mesitylsulfonyl)alanine

  • Molecular FormulaC24H29N7O5S
  • Average mass527.596 Da
  • Monoisotopic mass527.195068 Da
  • ChemSpider ID8004045

More details:

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

3-({4-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]benzoyl}amino)-N-(mesitylsulfonyl)alanin [German] [ACD/IUPAC Name]
3-({4-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]benzoyl}amino)-N-(mesitylsulfonyl)alanine [ACD/IUPAC Name]
3-({4-[2-(4,6-Diamino-1,3,5-triazin-2-yl)éthyl]benzoyl}amino)-N-(mésitylsulfonyl)alanine [French] [ACD/IUPAC Name]
Alanine, 3-[[4-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]benzoyl]amino]-N-[(2,4,6-trimethylphenyl)sulfonyl]- [ACD/Index 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: 1.638
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.19
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 379.4±3.0 cm3

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