Found 106 results

Search term: MF = 'C_{21}H_{28}N_{8}O_{2}S'
ChemSpider 2D Image | 2-{[4-Amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-methylpropanamide | C21H28N8O2S

2-{[4-Amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-methylpropanamide

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID33175947

More details:

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

2-{[4-Amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-methylpropanamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-methylpropanamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-diméthyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-éthylphényl)amino]-2-oxoéthyl}-N-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[4-amino-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-[(2-ethylphenyl)amino]-2-oxoethyl]-N-methyl- [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: 1.671
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.01
ACD/KOC (pH 5.5): 338.61
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.01
ACD/KOC (pH 7.4): 338.62
Polar Surface Area: 149 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 337.5±7.0 cm3

Click to predict properties on the Chemicalize site


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