ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[4-(cyclopentyloxy)-3-iodo-5-methoxyphenyl]methylene}-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide | C23H28IN9O4

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[4-(cyclopentyloxy)-3-iodo-5-methoxyphenyl]methylene}-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

  • Molecular FormulaC23H28IN9O4
  • Average mass621.431 Da
  • Monoisotopic mass621.130859 Da
  • ChemSpider ID101062797

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[4-(cyclopentyloxy)-3-iod-5-methoxyphenyl]methylen}-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-4-carbohydrazid [German] [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[4-(cyclopentyloxy)-3-iodo-5-methoxyphenyl]methylene}-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide [ACD/IUPAC Name]
1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[4-(cyclopentyloxy)-3-iodo-5-méthoxyphényl]méthylène}-5-(1-pyrrolidinylméthyl)-1H-1,2,3-triazole-4-carbohydrazide [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-pyrrolidinylmethyl)-, 2-[(1Z)-[4-(cyclopentyloxy)-3-iodo-5-methoxyphenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.772
Molar Refractivity: 141.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 39.05
Polar Surface Area: 159 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 339.8±7.0 cm3

Click to predict properties on the Chemicalize site


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