ChemSpider 2D Image | 2N1280157D | C21H22FN3O3

2N1280157D

  • Molecular FormulaC21H22FN3O3
  • Average mass383.416 Da
  • Monoisotopic mass383.164520 Da
  • ChemSpider ID32055540

More details:






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

1715016-76-4 [RN]
2N1280157D
METHYL (1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)-DL-VALINATE
methyl (1-(4-fluorobenzyl)-1H-indazole-3-carbonyl)-L-valinate
Methyl N-{[1-(4-fluorobenzyl)-1H-indazol-3-yl]carbonyl}valinate [ACD/IUPAC Name]
Methyl-N-{[1-(4-fluorbenzyl)-1H-indazol-3-yl]carbonyl}valinat [German] [ACD/IUPAC Name]
N-{[1-(4-Fluorobenzyl)-1H-indazol-3-yl]carbonyl}valinate de méthyle [French] [ACD/IUPAC Name]
UNII:2N1280157D
Valine, N-[[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
FUB-AMB
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TY9AKI870R [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.16
ACD/KOC (pH 5.5): 1449.93
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.04
ACD/KOC (pH 7.4): 1448.97
Polar Surface Area: 73 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

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