ChemSpider 2D Image | MFCD01912757 | C28H33N7O2S

MFCD01912757

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID7923562

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(1E)-(3,5-dimethyl-1-pentyl-1H-pyrazol-4-yl)methylene]hydrazide [ACD/Index Name]
MFCD01912757
N'-[(E)-(3,5-Dimethyl-1-pentyl-1H-pyrazol-4-yl)methylen]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-(3,5-Dimethyl-1-pentyl-1H-pyrazol-4-yl)methylene]-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide [ACD/IUPAC Name]
N'-[(E)-(3,5-Diméthyl-1-pentyl-1H-pyrazol-4-yl)méthylène]-2-{[5-(4-méthoxyphényl)-4-phényl-4H-1,2,4-triazol-3-yl]sulfanyl}acétohydrazide [French] [ACD/IUPAC Name]
N'-[(E)-(3,5-DIMETHYL-1-PENTYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-{[5-(4-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE
N'-[(E)-(3,5-DIMETHYL-1-PENTYL-1H-PYRAZOL-4-YL)METHYLIDENE]-2-([5-(4-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETOHYDRAZIDE

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: 1.637
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18496.17
ACD/KOC (pH 5.5): 39441.85
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18496.63
ACD/KOC (pH 7.4): 39442.85
Polar Surface Area: 125 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 428.5±7.0 cm3

Click to predict properties on the Chemicalize site


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