ChemSpider 2D Image | 5,6-Dihydroxy-2-[4-({[2-(1H-1,2,4-triazol-1-yl)ethyl]carbamoyl}amino)-3-thienyl]-4-pyrimidinecarboxylic acid | C14H13N7O5S

5,6-Dihydroxy-2-[4-({[2-(1H-1,2,4-triazol-1-yl)ethyl]carbamoyl}amino)-3-thienyl]-4-pyrimidinecarboxylic acid

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID34521584

More details:






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

4-Pyrimidinecarboxylic acid, 5,6-dihydroxy-2-[4-[[[[2-(1H-1,2,4-triazol-1-yl)ethyl]amino]carbonyl]amino]-3-thienyl]- [ACD/Index Name]
5,6-Dihydroxy-2-[4-({[2-(1H-1,2,4-triazol-1-yl)ethyl]carbamoyl}amino)-3-thienyl]-4-pyrimidincarbonsäure [German] [ACD/IUPAC Name]
5,6-Dihydroxy-2-[4-({[2-(1H-1,2,4-triazol-1-yl)ethyl]carbamoyl}amino)-3-thienyl]-4-pyrimidinecarboxylic acid [ACD/IUPAC Name]
Acide 5,6-dihydroxy-2-[4-({[2-(1H-1,2,4-triazol-1-yl)éthyl]carbamoyl}amino)-3-thiényl]-4-pyrimidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.836
Molar Refractivity: 93.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 204 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 93.9±7.0 dyne/cm
Molar Volume: 212.3±7.0 cm3

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