Found 1 result

Search term: XXPKHIJAEDNYJS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-Benzyl-5-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1H-1,2,3-triazole-4-carboxamide | C16H17N7O2S

1-Benzyl-5-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC16H17N7O2S
  • Average mass371.417 Da
  • Monoisotopic mass371.116455 Da
  • ChemSpider ID23345212

More details:






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

1-Benzyl-5-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Benzyl-5-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
1-Benzyl-5-({2-[(1-méthyl-1H-imidazol-2-yl)sulfanyl]acétyl}amino)-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxamide, 5-[[2-[(1-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-1-(phenylmethyl)- [ACD/Index Name]
1133126-81-4 [RN]
1-benzyl-5-({[(1-methyl-1H-imidazol-2-yl)thio]acetyl}amino)-1H-1,2,3-triazole-4-carboxamide
1-benzyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]triazole-4-carboxamide
AGN-PC-072RZ5
AO-476/43417657
MCULE-4469018471
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 100.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 49.64
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.50
Polar Surface Area: 146 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 250.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement