ChemSpider 2D Image | N-[5-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(4-benzyl-1-piperazinyl)acetamide | C22H27N7OS2

N-[5-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(4-benzyl-1-piperazinyl)acetamide

  • Molecular FormulaC22H27N7OS2
  • Average mass469.626 Da
  • Monoisotopic mass469.171844 Da
  • ChemSpider ID70906073

More details:

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

1-Piperazineacetamide, N-[5-[5-mercapto-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]-4-methyl-2-thiazolyl]-4-(phenylmethyl)- [ACD/Index Name]
N-[5-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(4-benzyl-1-piperazinyl)acetamid [German] [ACD/IUPAC Name]
N-[5-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]-2-(4-benzyl-1-piperazinyl)acetamide [ACD/IUPAC Name]
N-[5-(4-Allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-4-méthyl-1,3-thiazol-2-yl]-2-(4-benzyl-1-pipérazinyl)acétamide [French] [ACD/IUPAC 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: 1.708
Molar Refractivity: 133.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.37
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 146 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 342.3±7.0 cm3

Click to predict properties on the Chemicalize site


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