ChemSpider 2D Image | N~2~-[(1-Butyl-1H-indazol-3-yl)acetyl]-3-methyl-L-valinamide | C19H28N4O2

N2-[(1-Butyl-1H-indazol-3-yl)acetyl]-3-methyl-L-valinamide

  • Molecular FormulaC19H28N4O2
  • Average mass344.451 Da
  • Monoisotopic mass344.221222 Da
  • ChemSpider ID114951988
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1H-Indazole-3-acetamide, N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-butyl- [ACD/Index Name]
N2-[(1-Butyl-1H-indazol-3-yl)acetyl]-3-methyl-L-valinamid [German] [ACD/IUPAC Name]
N2-[(1-Butyl-1H-indazol-3-yl)acetyl]-3-methyl-L-valinamide [ACD/IUPAC Name]
N2-[2-(1-Butyl-1H-indazol-3-yl)acétyl]-3-méthyl-L-valinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.0±27.3 °C
Index of Refraction: 1.583
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.34
ACD/KOC (pH 5.5): 782.22
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.34
ACD/KOC (pH 7.4): 782.24
Polar Surface Area: 90 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 294.8±7.0 cm3

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