ChemSpider 2D Image | 2-({4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C18H14ClF2N5O3S

2-({4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC18H14ClF2N5O3S
  • Average mass453.850 Da
  • Monoisotopic mass453.047394 Da
  • ChemSpider ID126385301

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-[(E)-(5-Chlor-2-hydroxybenzyliden)amino]-5-[(2,5-difluorphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [ACD/IUPAC Name]
2-({4-[(E)-(5-Chloro-2-hydroxybenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
2-({4-[(E)-(5-Chloro-2-hydroxybenzylidène)amino]-5-[(2,5-difluorophénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-[[(1E)-(5-chloro-2-hydroxyphenyl)methylene]amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.39
ACD/KOC (pH 5.5): 1219.60
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 47.14
ACD/KOC (pH 7.4): 395.42
Polar Surface Area: 141 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 289.0±7.0 cm3

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