ChemSpider 2D Image | 1-Acetyl-N-{1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-[(2-hydroxyethyl)(methyl)amino]-1H-1,2,4-triazol-5-yl}-1H-indazole-4-carboxamide | C19H23N7O5S

1-Acetyl-N-{1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-[(2-hydroxyethyl)(methyl)amino]-1H-1,2,4-triazol-5-yl}-1H-indazole-4-carboxamide

  • Molecular FormulaC19H23N7O5S
  • Average mass461.495 Da
  • Monoisotopic mass461.148132 Da
  • ChemSpider ID123144490

More details:

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

1-Acetyl-N-{1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-[(2-hydroxyethyl)(methyl)amino]-1H-1,2,4-triazol-5-yl}-1H-indazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Acetyl-N-{1-(1,1-dioxidotetrahydro-3-thiophenyl)-3-[(2-hydroxyethyl)(methyl)amino]-1H-1,2,4-triazol-5-yl}-1H-indazole-4-carboxamide [ACD/IUPAC Name]
1-Acétyl-N-{1-(1,1-dioxydotétrahydro-3-thiophényl)-3-[(2-hydroxyéthyl)(méthyl)amino]-1H-1,2,4-triazol-5-yl}-1H-indazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-Indazole-4-carboxamide, 1-acetyl-N-[3-[(2-hydroxyethyl)methylamino]-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-1,2,4-triazol-5-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.746
Molar Refractivity: 115.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.96
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.99
Polar Surface Area: 161 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 72.3±7.0 dyne/cm
Molar Volume: 285.7±7.0 cm3

Click to predict properties on the Chemicalize site


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