ChemSpider 2D Image | Methyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate | C20H27N3O3

Methyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate

  • Molecular FormulaC20H27N3O3
  • Average mass357.447 Da
  • Monoisotopic mass357.205231 Da
  • ChemSpider ID71117180

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Méthyl-N-{[1-(4-pentén-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate de méthyle [French] [ACD/IUPAC Name]
L-Valine, 3-methyl-N-[[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinate [ACD/IUPAC Name]
Methyl-3-methyl-N-{[1-(4-penten-1-yl)-1H-indazol-3-yl]carbonyl}-L-valinat [German] [ACD/IUPAC Name]
2504100-70-1 [RN]
MDMB-4en-PINACA
methyl (S)-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido)butanoate
Unii-K2dzn2tdd6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 536.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±27.3 °C
Index of Refraction: 1.553
Molar Refractivity: 102.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.82
ACD/KOC (pH 5.5): 1742.64
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.71
ACD/KOC (pH 7.4): 1741.87
Polar Surface Area: 73 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 319.7±7.0 cm3

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