ChemSpider 2D Image | 2-[(5-{(2E)-2-[(1-Allyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide | C23H28N8OS

2-[(5-{(2E)-2-[(1-Allyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID62414874

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(5-{(2E)-2-[(1-Allyl-3,5-dimethyl-1H-pyrazol-4-yl)methylen]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalinyl]acetamid [German] [ACD/IUPAC Name]
2-[(5-{(2E)-2-[(1-Allyl-3,5-diméthyl-1H-pyrazol-4-yl)méthylène]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,2,3,4-tétrahydro-1-naphtalényl]acétamide [French] [ACD/IUPAC Name]
2-[(5-{(2E)-2-[(1-Allyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]acetamide [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2E)-2-[[3,5-dimethyl-1-(2-propen-1-yl)-1H-pyrazol-4-yl]methylene]hydrazinyl]-1H-1,2,4-triazol-3-yl]thio]-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2072.94
ACD/KOC (pH 5.5): 8226.37
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2063.22
ACD/KOC (pH 7.4): 8187.81
Polar Surface Area: 138 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 341.4±7.0 cm3

Click to predict properties on the Chemicalize site


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