ChemSpider 2D Image | 2-Methyl-2-propanyl 5-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-1H-indole-1-carboxylate | C20H21N9O4

2-Methyl-2-propanyl 5-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-1H-indole-1-carboxylate

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID101076224

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-1-carboxylic acid, 5-[(Z)-[2-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl]hydrazinylidene]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
5-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-méthyl-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)méthyl]-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 141.98
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.12
ACD/KOC (pH 7.4): 141.87
Polar Surface Area: 168 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 296.2±7.0 cm3

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