ChemSpider 2D Image | 4-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenyl cyclopropanecarboxylate | C24H29N9O5

4-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenyl cyclopropanecarboxylate

  • Molecular FormulaC24H29N9O5
  • Average mass523.544 Da
  • Monoisotopic mass523.229187 Da
  • ChemSpider ID101058414

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(hexahydro-1H-azepin-1-yl)methyl]-, 2-[(1Z)-[4-[(cyclopropylcarbonyl)oxy]-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
4-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenyl cyclopropanecarboxylate [ACD/IUPAC Name]
4-[(Z)-({[1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)methyl]-2-methoxyphenyl-cyclopropancarboxylat [German] [ACD/IUPAC Name]
Cyclopropanecarboxylate de 4-[(Z)-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azépanylméthyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazono)méthyl]-2-méthoxyphényle [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: 1.732
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 51.99
Polar Surface Area: 176 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 335.5±7.0 cm3

Click to predict properties on the Chemicalize site


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