ChemSpider 2D Image | N'-{(Z)-[5-(Adamantan-1-yl)-2-hydroxyphenyl]methylene}-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide | C31H39N7O3S

N'-{(Z)-[5-(Adamantan-1-yl)-2-hydroxyphenyl]methylene}-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID82032111

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1Z)-(2-hydroxy-5-tricyclo[3.3.1.13,7]dec-1-ylphenyl)methylene]hydrazide [ACD/Index Name]
N'-{(Z)-[5-(Adamantan-1-yl)-2-hydroxyphenyl]methylen}-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-{(Z)-[5-(Adamantan-1-yl)-2-hydroxyphenyl]methylene}-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-{(Z)-[5-(Adamantan-1-yl)-2-hydroxyphényl]méthylène}-2-{[5-(1,5-diméthyl-1H-pyrazol-3-yl)-4-(tétrahydro-2-furanylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétohydrazide [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: 1.755
Molar Refractivity: 161.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8090.77
ACD/KOC (pH 5.5): 21810.18
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 6907.85
ACD/KOC (pH 7.4): 18621.42
Polar Surface Area: 145 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 395.4±7.0 cm3

Click to predict properties on the Chemicalize site


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