ChemSpider 2D Image | 2,2-Dichloro-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)acetamide | C26H23Cl2N5O3S

2,2-Dichloro-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)acetamide

  • Molecular FormulaC26H23Cl2N5O3S
  • Average mass556.464 Da
  • Monoisotopic mass555.089844 Da
  • ChemSpider ID3422196

More details:

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

2,2-Dichlor-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)acetamid [German] [ACD/IUPAC Name]
2,2-Dichloro-N-(1-{5-[(3-methylbenzyl)sulfanyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}-2-phenylethyl)acetamide [ACD/IUPAC Name]
2,2-Dichloro-N-(1-{5-[(3-méthylbenzyl)sulfanyl]-4-(4-nitrophényl)-4H-1,2,4-triazol-3-yl}-2-phényléthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2,2-dichloro-N-[1-[5-[[(3-methylphenyl)methyl]thio]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-2-phenylethyl]- [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: 1.673
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18200.21
ACD/KOC (pH 5.5): 38989.54
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 18187.55
ACD/KOC (pH 7.4): 38962.41
Polar Surface Area: 131 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 396.3±7.0 cm3

Click to predict properties on the Chemicalize site


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