ChemSpider 2D Image | Methyl N-{[2-({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazino]carbonothioyl}leucinate | C15H21N9O5S

Methyl N-{[2-({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazino]carbonothioyl}leucinate

  • Molecular FormulaC15H21N9O5S
  • Average mass439.449 Da
  • Monoisotopic mass439.138641 Da
  • ChemSpider ID102307932

More details:

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

Leucine, N-[[2-[[1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl]carbonyl]hydrazinyl]thioxomethyl]-, methyl ester [ACD/Index Name]
Methyl N-{[2-({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazino]carbonothioyl}leucinate [ACD/IUPAC Name]
Methyl-N-{[2-({1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)hydrazino]carbonothioyl}leucinat [German] [ACD/IUPAC Name]
N-{[2-({1-[(3-Nitro-1H-1,2,4-triazol-1-yl)méthyl]-1H-pyrazol-3-yl}carbonyl)hydrazino]carbonothioyl}leucinate de méthyle [French] [ACD/IUPAC 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: 1.704
Molar Refractivity: 108.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.77
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.49
Polar Surface Area: 206 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

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