Found 2 results

Search term: MF = 'C_{41}H_{67}N_{9}O_{4}'
ChemSpider 2D Image | 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(Z)-[3,4-bis(dodecyloxy)phenyl]methylene}-5-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide | C41H67N9O4

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

  • Molecular FormulaC41H67N9O4
  • Average mass750.029 Da
  • Monoisotopic mass749.531616 Da
  • ChemSpider ID101063408

  • 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)-[3,4-bis(dodecyloxy)phenyl]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)-[3,4-bis(dodecyloxy)phenyl]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)-[3,4-bis(dodécyloxy)phényl]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)-[3,4-bis(dodecyloxy)phenyl]methylene]hydrazide [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 214.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 10.93
ACD/LogD (pH 5.5): 7.79
ACD/BCF (pH 5.5): 126371.54
ACD/KOC (pH 5.5): 31455.14
ACD/LogD (pH 7.4): 9.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1598202.75
Polar Surface Area: 159 Å2
Polarizability: 84.9±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 638.3±7.0 cm3

Click to predict properties on the Chemicalize site


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